147770-06-7|(S)-Ethyl 2-ethoxy-4-(2-((3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoate| Ambeed

Structure of 147770-06-7

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Quality Control of [ 147770-06-7 ] Purity: 95% SDS Specification

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Product Details of [ 147770-06-7 ]

CAS No. :	147770-06-7
Formula :	C₂₉H₄₀N₂O₄
M.W :	480.64
SMILES Code :	O=C(OCC)C1=CC=C(CC(N[C@H](C2=CC=CC=C2N3CCCCC3)CC(C)C)=O)C=C1OCC
MDL No. :	MFCD22572587
InChI Key :	FTCMVLQJMIXDSI-VWLOTQADSA-N
Pubchem ID :	10648419

Safety of [ 147770-06-7 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P305+P351+P338

Computational Chemistry of [ 147770-06-7 ] Show Less

Physicochemical Properties

Num. heavy atoms	35
Num. arom. heavy atoms	12
Fraction Csp3	0.52
Num. rotatable bonds	13
Num. H-bond acceptors	4.0
Num. H-bond donors	1.0
Molar Refractivity	144.57
TPSA ? Topological Polar Surface Area: Calculated from Ertl P. et al. 2000 J. Med. Chem.	67.87 Å²

Lipophilicity

Log P_o/w (iLOGP)? iLOGP: in-house physics-based method implemented from Daina A et al. 2014 J. Chem. Inf. Model.	4.96
Log P_o/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry	5.88
Log P_o/w (WLOGP)? WLOGP: Atomistic method implemented from Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.	4.99
Log P_o/w (MLOGP)? MLOGP: Topological method implemented from Moriguchi I. et al. 1992 Chem. Pharm. Bull. Moriguchi I. et al. 1994 Chem. Pharm. Bull. Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.	3.83
Log P_o/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	6.09
Consensus Log P_o/w? Consensus Log P_o/w: Average of all five predictions	5.15

Water Solubility

Log S (ESOL):? ESOL: Topological method implemented from Delaney JS. 2004 J. Chem. Inf. Model.	-5.92
Solubility	0.000578 mg/ml ; 0.0000012 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Moderately soluble
Log S (Ali)? Ali: Topological method implemented from Ali J. et al. 2012 J. Chem. Inf. Model.	-7.08
Solubility	0.0000401 mg/ml ; 0.0000000835 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Poorly soluble
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	-8.18
Solubility	0.0000032 mg/ml ; 0.0000000066 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Poorly soluble

Pharmacokinetics

GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg	High
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg	Yes
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) and tested on 415 molecules (test set) 10-fold CV: ACC=0.72 / AUC=0.77 External: ACC=0.88 / AUC=0.94	Yes
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.83 / AUC=0.90 External: ACC=0.84 / AUC=0.91	No
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.80 / AUC=0.86 External: ACC=0.80 / AUC=0.87	No
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) and tested on 2075 molecules (test set) 10-fold CV: ACC=0.78 / AUC=0.85 External: ACC=0.71 / AUC=0.81	No
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) and tested on 1068 molecules (test set) 10-fold CV: ACC=0.79 / AUC=0.85 External: ACC=0.81 / AUC=0.87	Yes
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) and tested on 2579 molecules (test set) 10-fold CV: ACC=0.77 / AUC=0.85 External: ACC=0.78 / AUC=0.86	Yes
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from Potts RO and Guy RH. 1992 Pharm. Res.	-5.06 cm/s

Druglikeness

Lipinski? Lipinski (Pfizer) filter: implemented from Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev. MW ≤ 500 MLOGP ≤ 4.15 N or O ≤ 10 NH or OH ≤ 5	0.0
Ghose? Ghose filter: implemented from Ghose AK. et al. 1999 J. Comb. Chem. 160 ≤ MW ≤ 480 -0.4 ≤ WLOGP ≤ 5.6 40 ≤ MR ≤ 130 20 ≤ atoms ≤ 70	None
Veber? Veber (GSK) filter: implemented from Veber DF. et al. 2002 J. Med. Chem. Rotatable bonds ≤ 10 TPSA ≤ 140	1.0
Egan? Egan (Pharmacia) filter: implemented from Egan WJ. et al. 2000 J. Med. Chem. WLOGP ≤ 5.88 TPSA ≤ 131.6	0.0
Muegge? Muegge (Bayer) filter: implemented from Muegge I. et al. 2001 J. Med. Chem. 200 ≤ MW ≤ 600 -2 ≤ XLOGP ≤ 5 TPSA ≤ 150 Num. rings ≤ 7 Num. carbon > 4 Num. heteroatoms > 1 Num. rotatable bonds ≤ 15 H-bond acc. ≤ 10 H-bond don. ≤ 5	1.0
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat implemented from Martin YC. 2005 J. Med. Chem.	0.55

Medicinal Chemistry

PAINS? Pan Assay Interference Structures: implemented from Baell JB. & Holloway GA. 2010 J. Med. Chem.	0.0 alert
Brenk? Structural Alert: implemented from Brenk R. et al. 2008 ChemMedChem	0.0 alert: heavy_metal
Leadlikeness? Leadlikeness: implemented from Teague SJ. 1999 Angew. Chem. Int. Ed. 250 ≤ MW ≤ 350 XLOGP ≤ 3.5 Num. rotatable bonds ≤ 7	No; 1 violation:MW<3.0
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties, trained on 12'782'590 molecules and tested on 40 external molecules (r² = 0.94)	4.2

Application In Synthesis of [ 147770-06-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 147770-06-7 ]

[ 147770-06-7 ] Synthesis Path-Downstream 1~35

1
[ 99469-99-5 ]
[ 147769-93-5 ]
[ 147770-06-7 ]

Yield	Reaction Conditions	Operation in experiment
93%		Example 11 (S)(+)-2-ethoxy-4-[N-[1-(2-piperidinophenyl)-3-methyl-1-butyl]aminocarbonyl-methyl]-benzoic acid ethyl ester 20.77 g (82.4 mmol) of 2-(3-Ethoxy-4-(ethoxycarbonyl)phenyl)-acetic acid were slowly added to a solution of N,N'-carbonyldiimidazole (13.36 g, 82.4 mmol, 97%) in dichloromethane (240 ml) at room temperature. After activation for 1.5h at 20-25C a solution of (S)-3-methyl-1-(2-(piperidin-1-yl)phenyl)butan-1-amine (19.70 g, 80.0 mmol) in dichloromethane (80 ml) was added dropwise and the resulting mixture was stirred for 2h. The reaction mixture was quenched by adding water (2 x 160 ml). The organic phase was then evaporated under reduced pressure. The yield of the crude repaglinide ester product of formula IV was 35.7 g (93%; HPLC: 97.58%).
89.5%	With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In ethyl acetate; at 0 - 20℃; for 18.5h;	To a mixture of (1 3-METHYL-1-(2-PIPERIDIN-1-YLPHENYL) BUTAN-1-AMINE (499, 0.2 MOL), [3-ETHOXY-4- (ETHOXYCARBONYL) PHENYL] acetic acid (50 g, 0.2 mol) and triethylamine (100 g, 0.99 mol) in ethyl acetate (1.0 L), a solution (50% w/w) of propane phosphonic acid anhydride (278 g, 0.44 mol) in ethyl acetate was added dropwise over a period of 30 minutes, maintaining the temperature at 0-5 C and stirred for 18 hours at ambient temperature. The reaction mixture was washed with 1.5 N HCI, 5% sodium bicarbonate solution and brine. The organic layer was concentrated to give title compound. Yield : 86 g, 89.5%
89.6%	With phenylboronic acid; In toluene; for 16 - 18h;Heating / reflux;Product distribution / selectivity;	EXAMPLE 2 Preparation of Ethyl (S)-2-ethoxy-4-[N-[1-(2-piperidinophenyl)-3-methyl-1-butyl]aminocarbonylmethyl]benzoate In a round bottom flask fitted with a dean stark condenser, 3-Ethoxy-4-ethoxycarbonyl phenyl acetic acid (10.26 g, 0.0426 mol) was dissolved in toluene (100 ml) followed by slow addition of phenylboronic acid (0.494 g, 0.0040 mol) and (S)-3-methyl-1-(2-piperidinophenyl)-1-butylamine (10 g, 0.0406 mol). The reaction mixture was refluxed for 16-18 hours. The resulting mass was cooled at 25-30 C. followed by filtration. The toluene layer was washed with water and 1% sodium bicarbonate solution followed by complete distillation of toluene. Hexane (50 ml) was added to the resulting residue after complete removal of toluene in order to precipitate the solid, with stirring for 1 hour. The resulting solid was filtered and washed with hexane (10 ml). The wet material was further dried at 50-55 C. under vacuum for 4-6 hours to produce Ethyl (S)-2-ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]benzoate (Yield=89.6%; HPLC Purity: 99.66%).

89.6%	With phenylboronic acid; In toluene;Reflux;	Example 8Preparation of Ethyl (S)-2-ethoxy-4-[N-[1-(2-piperidinophenyl)-3-methyl-1-butyl]aminocarbonylmethyl]benzoateIn a round bottom flask fitted with a Dean Stark condenser, 3-ethoxy-4-ethoxycarbonyl phenyl acetic acid (10.26 g, 0.0426 moles) was dissolved in toluene (100 ml) followed by slow addition of phenylboronic acid (0.494 g, 0.0040 moles) and (S)-3-methyl-1-(2-piperidinophenyl)-1-butylamine (10 g, 0.0406 moles). The reaction mixture was refluxed for 16-18 hours. The reaction mixture was cooled at room temperature followed by filtration. The toluene layer was washed with water and 1% sodium bicarbonate solution. This was followed by complete distillation of toluene. Hexane (50 ml) was added to the resulting residue in order to precipitate the solid and then stirred for 1 hour. The resulting solid was filtered and washed with hexane (10 ml). The wet material was further dried at 50-55 C. under vacuum for 4-6 hours to produce ethyl (S)-2-ethoxy-4-[N-[1-(2-piperidinophenyl)-3-methyl-1-butyl]aminocarbonylmethyl]benzoate (Yield: 89.6%; HPLC purity: 99.46%; and Chiral purity: 99.98%).
87.2%	With tetramethylorthosilicate; In toluene; for 11h;Inert atmosphere; Reflux;	Under nitrogen, compound 370.3g (0.285mol, 1eq), 4- carboxy-methyl-2-ethoxy ethyl benzoate 72.0g (0.285mol ,, 1eq), tetramethoxysilane 86.8g (152.22,0.57 mol, 2eq) and 285g of toluene, heated to reflux for 11 hours, HPLC control the starting material the reaction was complete, cooled, concentrated under reduced pressure, from ethanol / MTBE to give white crystalline solid 119.4g, HPLC98.8%, yield 87.2%, 99.5% ee.
73.3%	With boric acid; In toluene; for 16 - 18h;Heating / reflux;Product distribution / selectivity;	EXAMPLE 1 Preparation of Ethyl (S)-2-ethoxy-4-[N-[1-(2-piperidinophenyl)-3-methyl-1-butyl]aminocarbonylmethyl]benzoate In a round bottom flask fitted with a dean stark condenser, (S)-3-methyl-1-(2-piperidinophenyl)-1-butylamine (10 g, 0.0406 mol) was dissolved in toluene (100 ml), followed by the addition of 3-ethoxy-4-ethoxycarbonyl phenyl acetic acid (10.26 g, 0.0407 mol) and boric acid (0.26 g, 0.0042 mol). The reaction mixture was refluxed for 16-18 hours. The resulting mass was then cooled to 25-30 C. followed by filtration. The filtrate was washed with water and 1.0% sodium bicarbonate solution followed by complete distillation of toluene and the resulting residue was stirred with hexane (50 ml) for 1 hour. The precipitated solid was filtered and washed with hexane (10 ml). The wet product was dried at 50-55 C. under vacuum for 4-6 hours to produce Ethyl (S)-2-ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonyl methyl]-benzoate (Yield=73.3%; HPLC Purity: 99.50%).
	With triethylamine; triphenylphosphine; In tetrachloromethane; acetonitrile;	EXAMPLE 1 Ethyl (S)-2-ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]-benzoate 0.48 g (1.91 mMol) of 3-ethoxy-4-ethoxycarbonylphenylacetic acid, 0.60 g (2.29 mMol) of triphenylphosphine, 0.80 ml (5.73 mMol) of triethylamine and 0.18 ml (1.91 mMol) of carbon tetrachloride are added successively to a solution of 0.47 g (1.91 mMol) of (S)-3-methyl-1-(2-piperidino-phenyl)-1-butylamine (ee=98.5%) in 5 ml of anhydrous acetonitrile and the resulting mixture is stirred for 20 hours at ambient temperature. It is then evaporated down in vacuo and distributed between ethyl acetate and water. The organic extract is dried and filtered and evaporated down in vauco. The evaporation residue is purified by column chromatography on silica gel (toluene/ethyl acetate=10/1). Yield: 0.71 g (77.3% of theory), Melting point: 110-112 C. Calculated: C 72.47; H 8.39; N 5.83. Found: C 72.29; H 8.42; N 5.80.
	With dicyclohexyl-carbodiimide; In toluene; at 25 - 40℃;	EXAMPLE 5; PREPARATION OF REPAGLINIDE; 3-Ethoxy-4-(ethoxycarbonyl)benzene acetic acid (2.25 g, 0.0089 moles) was added to a solution of (alphaS)-alpha-(2-methylpropyl)-2-(1-piperidinyl)benzenemethanamine (2g, .008 moles) in toluene (20 ml). Then N,N-dicyclohexylcarbodiimide (1.95 g, 0.0094 moles) was added and the reaction mixture was stirred till completion of the reaction at 25-40C. The solid was filtered under suction and toluene filtrate was distilled under reduced pressure. The product was crystallized from ethanol / water and dried to yield ethyl 2-ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]benzoate (3 g). 1N aqueous sodium hydroxide solution (8.0 ml) in ethanol (30 ml) was added to ethyl-2-ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]benzoate (3 g) at 60-65C and stirred. After completion of the reaction the reaction mixture was cooled, pH was adjusted to 5 with 1N aqueous hydrochloric acid and product was filtered and dried at reduced pressure. The dried product was recrystallised from aqueous ethanol to give repaglinide. Yield: 2.27 g

References: [1]Patent: EP2177221,2010,A1 .Location in patent: Page/Page column 13.
[2]Patent: WO2004/103983,2004,A1 .Location in patent: Page 7.
[3]Patent: US2008/200684,2008,A1 .Location in patent: Page/Page column 3-4.
[4]Patent: US2010/197732,2010,A1 .Location in patent: Page/Page column 13.
[5]Asian Journal of Chemistry,2013,vol. 25,p. 9345 - 9350.
[6]Patent: CN109970681,2019,A .Location in patent: Paragraph 0043; 0051; 0052.
[7]Chimia,2006,vol. 60,p. 593 - 597.
[8]Patent: US2008/200684,2008,A1 .Location in patent: Page/Page column 3.
[9]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.
[10]Patent: US5312924,1994,A .
[11]Patent: EP2019097,2009,A1 .Location in patent: Page/Page column 8.

2
[ 99469-99-5 ]
(S)-3-Methyl-1-(2-piperidin-1-yl-phenyl)-butylamine; compound with (S)-2-acetylamino-pentanedioic acid [ No CAS ]
[ 147770-06-7 ]

References: [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.

3
[ 108175-51-5 ]
[ 147770-06-7 ]

References: [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.

4
[ 147770-06-7 ]
[ 135062-02-1 ]

Yield	Reaction Conditions	Operation in experiment
87.6%	With methanol; sodium hydroxide; for 3h;Reflux;	Ethyl S-(+)-2-ethoxy-4-[N-{1-(2-piperidin-phenyl)-3-methyl-1-butyl} aminocarbonylmethyl]benzoate 119.4 g (0.248mol, 1eq) was dissolved in 280 g of methanol, 2.0 moL /L 248 mL of sodium hydroxide solution was added, heated to reflux for 3 hours, methanol was evaporated, cooled to room temperature, 2.0 moL / L hydrochloric acid was added to the reaction solution, the pH of the reaction solution was adjusted to 4-6, stirred for crystallization, filtered, washed with water and dried to give white crystalline repaglinide 98.3g, HPLC99.5%, 99.8% ee ,87.6% yield.
83.2%		EXAMPLE 3 Process for the Preparation of Repaglinide Ethyl (S)-2-ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-amino carbonylmethyl]-benzoate (4.5 g, 0.0093 mol) was dissolved in methanol (45 ml), followed by the addition of sodium hydroxide solution (0.75 g of sodium hydroxide dissolved in 6 ml water). The reaction mixture was heated at 60-65 C. for 3-4 hours. Methanol (80-85%) was removed from the reaction mixture under vacuum. The remaining reaction mixture was diluted with water (45 ml) and pH was adjusted to 6.5-7.0 with 1N HCl. The precipitated solid was stirred for 2-3 hours followed by filtration and washing with water (45 ml). The product was further dried at 50-55 C. under vacuum for 6-8 hours to produce Repaglinide (Yield=83.2%; HPLC Purity: 99.89%).
83.2%		Example 9Process for the preparation of 2-ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]benzoic acid (Repaglinide)Ethyl(S)-2-ethoxy-4-[N-[1-(2-piperidinophenyl)-3-methyl-1-butyl]aminocarbonyl methyl]benzoate (4.5 g, 0.0093 moles) was dissolved in methanol (45 ml), which was followed by the addition of sodium hydroxide solution (0.75 g of sodium hydroxide dissolved in 6 ml water). The reaction mixture was heated at 60-65 C. for 3-4 hours. Methanol (80-85%) was removed from the reaction mixture under vacuum. The remaining reaction mixture was diluted with water (45 ml) and pH was adjusted to 6.5-7.0 with 1N HCl. The precipitated solid was stirred for 2-3 hours followed by filtration and washing with water (45 ml). The product was further dried at 50-55 C. under vacuum for 6-8 hours to produce repaglinide (Yield: 83.2%; HPLC purity: 99.81%; and Chiral purity by HPLC: 99.97%).

81%		To a solution of 2-ETHOXY-4-[3-METHYL-1-(2-PIPERIDIN-1-YL- PHENYL)-BUTYLCARBAMOYL]-METHYL}-BENZOIC acid ethyl ester (86 g, 0.18 mol) in ethanol (860 mL), a solution of sodium hydroxide (10.3 G, 0.26 mol) in water (260 mL) was added and stirred at 60-65 C for 2 h. Activated chrcoal (9 g) was added to the reaction mixture and filtered over celite bed. After adjusting the pH of the clear filtrate to 4.0-4. 2, the mixture was stirred at 40-45 C for 30 minutes. The mixture further cooled to 0-5 C and stirred for 1 h. The product was filtered and dried. Yield : 66 g, 81%
		EXAMPLE 5; PREPARATION OF REPAGLINIDE; 3-Ethoxy-4-(ethoxycarbonyl)benzene acetic acid (2.25 g, 0.0089 moles) was added to a solution of (alphaS)-alpha-(2-methylpropyl)-2-(1-piperidinyl)benzenemethanamine (2g, .008 moles) in toluene (20 ml). Then N,N-dicyclohexylcarbodiimide (1.95 g, 0.0094 moles) was added and the reaction mixture was stirred till completion of the reaction at 25-40C. The solid was filtered under suction and toluene filtrate was distilled under reduced pressure. The product was crystallized from ethanol / water and dried to yield <strong>[147770-06-7]ethyl 2-ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]benzoate</strong> (3 g). 1N aqueous sodium hydroxide solution (8.0 ml) in ethanol (30 ml) was added to ethyl-2-ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]benzoate (3 g) at 60-65C and stirred. After completion of the reaction the reaction mixture was cooled, pH was adjusted to 5 with 1N aqueous hydrochloric acid and product was filtered and dried at reduced pressure. The dried product was recrystallised from aqueous ethanol to give repaglinide. Yield: 2.27 g
72% (28.5 g)		Example 19 (S)(+)-2-ethoxy-4-[N-[1-(2-piperidinophenyl)-3-methyl-1-butyl]aminocarbonyl-methyl]-benzoic acid (Repaglinide) To a hot solution (40-45C) of crude <strong>[147770-06-7](S)(+)-2-ethoxy-4-[N-[1-(2-piperidinophenyl)-3-methyl-1-butyl]aminocarbonyl-methyl]-benzoic acid ethyl ester</strong> (35.7 g) in ethanol (320 ml), 112 ml of 1M NaOH (112 mmol) was added dropwise. After heating this mixture to a temperature of about 55-58C for 2.5h, charcoal was added for 15 minutes. Then, the hot suspension was filtrated. The filtrate was cooled to about 35C and 112 ml of 1M HCl (112mmol) was added slowly to give a suspension having a pH of about 5. After keeping this mixture at a temperature of about 20-25C for 2h and for another 2h at about 0-5C, the precipitated product was filtrated and washed with 30 ml of cooled ethanol 50%. The crude product was crystallized from a 2:1 mixture of EtOH and water (450 ml) and dried at 50C for 5h to obtain the desired (S)-repaglinide in a yield of 72% (28.5 g).

References: [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.
[2]Patent: CN109970681,2019,A .Location in patent: Paragraph 0043; 0053; 0054.
[3]Asian Journal of Chemistry,2013,vol. 25,p. 9345 - 9350.
[4]Patent: US2008/200684,2008,A1 .Location in patent: Page/Page column 4.
[5]Patent: US2010/197732,2010,A1 .Location in patent: Page/Page column 13-14.
[6]Patent: WO2004/103983,2004,A1 .Location in patent: Page 7; 8.
[7]Chimia,2006,vol. 60,p. 593 - 597.
[8]Patent: EP2019097,2009,A1 .Location in patent: Page/Page column 8.
[9]Patent: WO2004/101540,2004,A2 .Location in patent: Page/Page column 13-14.
[10]Patent: WO2004/101540,2004,A2 .Location in patent: Page/Page column 15-16.
[11]Patent: EP2177221,2010,A1 .Location in patent: Page/Page column 15.

5
[ 110-89-4 ]
trityl thiosemicarbazide resin [ No CAS ]
[ 147770-06-7 ]

References: [1]Chimia,2006,vol. 60,p. 593 - 597.

6
[ 72752-52-4 ]
[ 147770-06-7 ]

References: [1]Chimia,2006,vol. 60,p. 593 - 597.

7
[ 873-32-5 ]
[ 147770-06-7 ]

References: [1]Chimia,2006,vol. 60,p. 593 - 597.

8
[ 108157-52-4 ]
[ 147770-06-7 ]

References: [1]Chimia,2006,vol. 60,p. 593 - 597.
[2]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.
[3]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.

9
[ 147769-96-8 ]
[ 147770-06-7 ]

References: [1]Chimia,2006,vol. 60,p. 593 - 597.
[2]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.
[3]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.
[4]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.
[5]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.
[6]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.

10
[ 110-89-4 ]
3.) methyl halide [ No CAS ]
[ 147770-06-7 ]

References: [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.
[2]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.
[3]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.
[4]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.
[5]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.
[6]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.

11
[ 72752-52-4 ]
cyclohexyl-CH₂-MgX [ No CAS ]
[ 147770-06-7 ]

12
[ 873-32-5 ]
2-chloro-benzaldehyde <i>seqtrans</i>-oxime [ No CAS ]
[ 147770-06-7 ]

13
[ 50-85-1 ]
[ 147770-06-7 ]

14
[ 88709-17-5 ]
[ 147770-06-7 ]

15
[ 34595-26-1 ]
[ 147770-06-7 ]

References: [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.
[2]Asian Journal of Chemistry,2013,vol. 25,p. 9345 - 9350.
[3]Asian Journal of Chemistry,2013,vol. 25,p. 9345 - 9350.
[4]Asian Journal of Chemistry,2013,vol. 25,p. 9345 - 9350.
[5]Patent: CN109970681,2019,A .

16
[ 110017-07-7 ]
[ 147770-06-7 ]

17
[ 99470-01-6 ]
[ 147770-06-7 ]

18
[ 147770-03-4 ]
[ 147770-06-7 ]

References: [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.
[2]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.

19
ethyl 4-(2-amino-2-oxoethyl)-2-ethoxybenzoate [ No CAS ]
[ 147770-06-7 ]

20
[ 99469-99-5 ]
[ 147770-06-7 ]

References: [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.

21
[ 332347-69-0 ]
[ 147770-06-7 ]

22
[ 147769-98-0 ]
[ 147770-06-7 ]

References: [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.

23
[ 147769-97-9 ]
[ 147770-06-7 ]

References: [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.

24
<2-(1-piperidinyl)phenyl>-N-<(R')-1-phenethyl>-aldimine [ No CAS ]
[ 147770-06-7 ]

References: [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.

25
[ 219922-07-3 ]
[ 147770-06-7 ]

References: [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.

26
[ 147770-01-2 ]
[ 147770-06-7 ]

References: [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.

27
[ 219921-97-8 ]
[ 147770-06-7 ]

References: [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.

28
isobutyl-(2-piperidino-phenyl)-N-<(R')-1-phenethyl>-ketimine [ No CAS ]
[ 147770-06-7 ]

References: [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.

29
isobutyl-(2-piperidino-phenyl)-N-<(S')-1-phenethyl>-ketimine [ No CAS ]
[ 147770-06-7 ]

References: [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.

30
N-(2-piperidino-benzyl)-2-piperidino-benzaldimine [ No CAS ]
cycloheptyl-CH₂-halide [ No CAS ]
[ 147770-06-7 ]

References: [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.

31
[ 1026508-90-6 ]
[ 147770-06-7 ]

References: [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 5219 - 5246.

32
[ 546-68-9 ]
Ru(O-acetyl)2 [(S)-BINAP] [ No CAS ]
[ 147770-00-1 ]
[ 147770-06-7 ]

Yield	Reaction Conditions	Operation in experiment
	In hexane;	EXAMPLE 4 Ethyl (S)-2-ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]-benzoate 0.79 g (1.65 mMol) of ethyl (Z)-2-ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-buten-1-yl)-aminocarbonylmethyl]-benzoate, melting point 124-127 C., are dissolved in 10 ml of degassed solvent mixture (methanol/methylene chloride=5/1) under an Argon atmosphere and added to a solution of 17 mg of the NOYORI-catalyst Ru(O-acetyl)2 [(S)-BINAP] (prepared from [Ru(COD)Cl2 ]n with (S)-BINAP [=(S)-2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl], triethylamine and sodium acetate) and 3 mg of titanium tetraisopropoxide in 10 ml of degassed solvent mixture (methanol/methylene chloride =5/1). The reaction mixture is drawn into an autoclave evacuated at 10-2 mbar. This is flushed five times with hydrogen at 5 bar and finally hydrogenated at 30 C. and 100 bar until the hydrogen uptake has ceased (154 hours). The reddish-brown solution is evaporated down in vacuo, the evaporation residue is dissolved in 80 ml of ether, filtered off from the undissolved brown flakes by means of activated charcoal and the resulting clear, bright yellow filtrate is evaporated down in vacuo. The evaporation residue (0.60 g) is refluxed in 60 ml of n-hexane and filtered hot to separate it from the insoluble matter. The filtrate is left to stand overnight at ambient temperature. The crystals which are precipitated are filtered off. Yield: 0.45 g (56.7% of theory), Melting point: 131-133 C. (after sintering from 120 C.) Enantiomeric purity: ee=39% (S) [HPLC method: see Example 1].

References: [1]Patent: US5312924,1994,A .

33
1sodium hydroxide [ No CAS ]
[ 147770-06-7 ]
[ 135062-02-1 ]

Yield	Reaction Conditions	Operation in experiment
	In methanol; ethanol;	EXAMPLE 9 (S)(+)-2-Ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]-benzoic acid 0.4 H2 O Prepared from 89 mg (0.198 mMol) of ethyl (S)(+)-2-ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]-benzoate [melting point: 122-124 C.; [alpha]D20 =+8.3 (c=1 in methanol)] by saponification with 1sodium hydroxide solution in ethanol analogously to Example 3. Yield: 44.5 mg (48.8% of theory), Melting point: 102-103 C. (toluene/petroleum ether) Calc.: (0.4 H2 O) C 70.51; H 8.01. Found: C 70.80; H 8.06.

References: [1]Patent: US5312924,1994,A .

34
[ 147770-07-8 ]
[ 75-03-6 ]
[ 147770-06-7 ]

Yield	Reaction Conditions	Operation in experiment
	In N-methyl-acetamide; methanol;	EXAMPLE 5 Ethyl (S)-2-ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]-benzoate 0.05 g (1.15 mMol) of 55% sodium hydride in oil are added to a solution of 0.68 g (1.15 mMol) of ethyl (S)-2-hydroxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]-benzoate [melting point: 125-126 C.; [alpha]D20 =+12.87 (c=1.01 in methanol)] in 5 ml of anhydrous dimethylformamide and the mixture is stirred for 0.5 hours at ambient temperature. Then a solution of 0.12 ml (1.15 mMol) of ethyliodide in 2.5 ml of anhydrous dimethylformamide is added dropwise thereto and the mixture is stirred for 5 hours at ambient temperature. It is evaporated down in vacuo, the residue is distributed between dilute sodium hydroxide solution and chloroform, the organic extract is dried, filtered and evaporated down in vacuo. The evaporation residue is purified by column chromatography on silica gel (toluene/ethyl acetate=10/1). Yield: 0.48 g (67% of theory), Melting point: 110-112 C. Calculated: C 72.47; H 8.39; N 5.83. Found: C 72.61; H 8.54; N 5.97.

References: [1]Patent: US5312924,1994,A .

35
(S)-2-hydroxy-4-[N-(1-(2-piperidinophenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]-benzoic acid [ No CAS ]
[ 75-03-6 ]
[ 147770-06-7 ]

Yield	Reaction Conditions	Operation in experiment
42%		EXAMPLE 6 Ethyl (S)-2-ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]-benzoate Prepared from (S)-2-hydroxy-4-[N-(1-(2-piperidinophenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]-benzoic acid analogously to Example 5 using 2 equivalents of sodium hydride and 2 equivalents of ethyl iodide. Yield: 42% of theory, Melting point: 110-112 C. Calculated: C 72.47; H 8.39; N 5.83. Found: C 72.61; H 8.54; N 5.99.

References: [1]Patent: US5312924,1994,A .

Historical Records

Technical Information

• Acyl Group Substitution • Bouveault-Blanc Reduction • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Catalytic Hydrogenation • Chan-Lam Coupling Reaction • Complex Metal Hydride Reductions • Ester Cleavage • Hydride Reductions • Lawesson's Reagent • Leuckart-Wallach Reaction • Mannich Reaction • Nomenclature of Ethers • Petasis Reaction • Preparation of Amines • Preparation of Ethers • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions of Ethers • Reactions with Organometallic Reagents • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes • Specialized Acylation Reagents-Vilsmeier Reagent • Ugi Reaction

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[ 147770-06-7 ]

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Amides

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A197016 [660847-06-3]

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[ 147770-06-7 ]

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Similarity: 0.64

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Similarity: 0.64

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
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H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
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H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

{[proInfo.proName]}

CAS No.: 147770-06-7

{[proInfo.proName]}

CAS No.: 147770-06-7

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[ 147770-06-7 ] Synthesis Path-Downstream 1~35

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[ 147770-06-7 ]

Aryls

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[ 147770-06-7 ]

Piperidines

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CAS No.: 147770-06-7

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CAS No.: 147770-06-7

Alternative Products

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Physicochemical Properties

Lipophilicity

Water Solubility

Pharmacokinetics

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Medicinal Chemistry

Application In Synthesis of [ 147770-06-7 ]

[ 147770-06-7 ] Synthesis Path-Downstream 1~35

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Categories

Related Functional Groups of [ 147770-06-7 ]

Aryls

Ethers

Amides

Esters

Amines

Related Parent Nucleus of [ 147770-06-7 ]

Piperidines

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Related Functional Groups of
[ 147770-06-7 ]

Related Parent Nucleus of
[ 147770-06-7 ]