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Chemical Structure| 2043-61-0 Chemical Structure| 2043-61-0

Structure of 2043-61-0

Chemical Structure| 2043-61-0

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Product Details of [ 2043-61-0 ]

CAS No. :2043-61-0
Formula : C7H12O
M.W : 112.17
SMILES Code : O=CC1CCCCC1
MDL No. :MFCD00001457
InChI Key :KVFDZFBHBWTVID-UHFFFAOYSA-N
Pubchem ID :16275

Safety of [ 2043-61-0 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H226-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338
Class:3
UN#:1989
Packing Group:

Computational Chemistry of [ 2043-61-0 ] Show Less

Physicochemical Properties

Num. heavy atoms 8
Num. arom. heavy atoms 0
Fraction Csp3 0.86
Num. rotatable bonds 1
Num. H-bond acceptors 1.0
Num. H-bond donors 0.0
Molar Refractivity 33.85
TPSA ?

Topological Polar Surface Area: Calculated from
Ertl P. et al. 2000 J. Med. Chem.

17.07 Ų

Lipophilicity

Log Po/w (iLOGP)?

iLOGP: in-house physics-based method implemented from
Daina A et al. 2014 J. Chem. Inf. Model.

1.7
Log Po/w (XLOGP3)?

XLOGP3: Atomistic and knowledge-based method calculated by
XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry

1.81
Log Po/w (WLOGP)?

WLOGP: Atomistic method implemented from
Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.

1.77
Log Po/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.

1.35
Log Po/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

2.15
Consensus Log Po/w?

Consensus Log Po/w: Average of all five predictions

1.75

Water Solubility

Log S (ESOL):?

ESOL: Topological method implemented from
Delaney JS. 2004 J. Chem. Inf. Model.

-1.61
Solubility 2.76 mg/ml ; 0.0246 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Very soluble
Log S (Ali)?

Ali: Topological method implemented from
Ali J. et al. 2012 J. Chem. Inf. Model.

-1.79
Solubility 1.83 mg/ml ; 0.0163 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Very 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

-1.21
Solubility 7.0 mg/ml ; 0.0624 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

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

No
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

No
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

No
Log Kp (skin permeation)?

Skin permeation: QSPR model implemented from
Potts RO and Guy RH. 1992 Pharm. Res.

-5.7 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

0.0
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

2.0
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

1.0 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<1.0
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)

1.42

Application In Synthesis of [ 2043-61-0 ]

* 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 [ 2043-61-0 ]

[ 2043-61-0 ] Synthesis Path-Downstream   1~35

  • 1
  • [ 2243-82-5 ]
  • [ 2043-61-0 ]
  • [ 88413-31-4 ]
  • 2
  • [ 151-50-8 ]
  • [ 2043-61-0 ]
  • [ 4435-14-7 ]
  • 3
  • [ 6914-71-2 ]
  • [ 2043-61-0 ]
  • 6-Cyclohexyl-2-oxo-tetrahydro-pyran-3-carboxylic acid methyl ester [ No CAS ]
  • 4
  • [ 3337-62-0 ]
  • [ 39687-95-1 ]
  • [ 2043-61-0 ]
  • [2-Cyclohexyl-2-(3,5-dibromo-4-hydroxy-benzoylamino)-acetylamino]-acetic acid methyl ester [ No CAS ]
  • 5
  • [ 932-57-0 ]
  • [ 7732-18-5 ]
  • hydrogenoxalate [ No CAS ]
  • sodium nitrite [ No CAS ]
  • [ 2043-61-0 ]
  • 6
  • [ 2914-69-4 ]
  • [ 2043-61-0 ]
  • syn-1-cyclohexylpent-2-yne-1,4-diol [ No CAS ]
  • anti-1-cyclohexylpent-2-yne-1,4-diol [ No CAS ]
  • 7
  • [ 76-05-1 ]
  • [ 2043-61-0 ]
  • [ 162167-97-7 ]
  • [1-(cyclohexymethyl)piperidin-3-yl]methanamine bis(trifluoroacetate) salt [ No CAS ]
  • 8
  • [ 108-24-7 ]
  • [ 148312-55-4 ]
  • [ 2043-61-0 ]
  • [ 108104-23-0 ]
  • Acetic acid (R)-1-cyclohexyl-2-oxo-ethyl ester [ No CAS ]
  • 9
  • [ 108-24-7 ]
  • [ 148312-55-4 ]
  • [ 2043-61-0 ]
  • [ 851292-66-5 ]
  • (S)-2-((S)-Acetoxy-cyclohexyl-methyl)-thiazolidine-3-carboxylic acid tert-butyl ester [ No CAS ]
  • 10
  • [ 108-24-7 ]
  • [ 148312-55-4 ]
  • [ 2043-61-0 ]
  • (R)-2-((S)-Acetoxy-cyclohexyl-methyl)-thiazolidine-3-carboxylic acid tert-butyl ester [ No CAS ]
  • (S)-2-((R)-Acetoxy-cyclohexyl-methyl)-thiazolidine-3-carboxylic acid tert-butyl ester [ No CAS ]
  • 11
  • [ 148312-55-4 ]
  • [ 2043-61-0 ]
  • [ 59411-58-4 ]
  • [ 61414-09-3 ]
  • 12
  • [ 148312-55-4 ]
  • [ 2043-61-0 ]
  • (1'R,2R)-tert-butyl 2-(1-hydroxy-1-cyclohexyl)thiazolidine-3-carboxylate [ No CAS ]
  • (1'S,2R)-tert-butyl 2-(1-hydroxy-1-cyclohexyl)thiazolidine-3-carboxylate [ No CAS ]
  • (1'R,2S)-tert-butyl 2-(1-hydroxy-1-cyclohexyl)thiazolidine-3-carboxylate [ No CAS ]
  • (1'S,2S)-tert-butyl 2-(1-hydroxy-1-cyclohexyl)thiazolidine-3-carboxylate [ No CAS ]
  • 14
  • [ 638-94-8 ]
  • [ 2043-61-0 ]
  • [ 161115-59-9 ]
YieldReaction ConditionsOperation in experiment
59%Chromat. With perchloric acid; In water; 1-Nitropropane; at 0 - 20℃; <strong>[638-94-8]Desonide</strong> (4.16g; lOmmol) was dissolved in 1-nitropropane (14mL) and cooled to0C. To this solution, 70% perchloric acid (2.6mL, 30mmol) was added dropwise over 5 EPO <DP n="44"/>minutes, followed by cyclohexylcarboxaldehyde (1.44mL, 12mmol) and the reaction mixturewas stirred for the following 3 hours at 0C and then the reaction mixture was allowed towarm up overnight to room temperature. The TLC analysis (ethyl acetate/hexanes 1:1) indicated complete consumption of the starting material. The reaction mixture was diluted with ethyl acetate (10 times the volume) and washed with saturated sodium bicarbonate solution (3 times), twice with water and brine. The organic solution was then dried with anhydrous magnesium sulfate, filtered and the solvent was removed in vacuo. The crude product was purified by silica gel chromatography (ethyl acetate/hexane 1:2) and finally recrystallized from ethyl acetate/hexane yielding the title compound as a white solid (59%).LCMS: 97%, MH+ 471.3 (exact mass 470.3 calcd for C28H38O6). Optical rotation [alphaD] =+76.0 deg (c 0.5; MeOH).The 2D NMR study confirmed the connectivities and the R-configuration at the C-22 atom(epimeric purity was >95% within precision of the NMR method).
  • 15
  • [ 57497-39-9 ]
  • [ 2043-61-0 ]
  • C11H21NO [ No CAS ]
  • 16
  • [ 35661-51-9 ]
  • [ 2043-61-0 ]
  • [ 1158960-25-8 ]
  • 17
  • [ 192130-34-0 ]
  • [ 2043-61-0 ]
  • C18H35N3O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Cyclohexanecarboxaldehyde (145muL, 1.2mmol) and Boc-aminoethylpiperazine (229mg, 1mmol) were stirred in DCM (10ml) at room temperature for 30mins before the addition of STAB (424mg, 2mmol) and acetic acid (114mul_, 2mmol). The reaction was stirred at room temperature for 24hr before being quenched with 2M NaOH (20ml) and the product extracted with DCM (3 x 10ml). The combined organic layers were dried over Na2SO4, and concentrated in vacuo to yield a brown oil. The brown oil was dissolved in DCM (10ml) before the addition of triethylamine (278mul, 2mmol) and indole-3-glyoxylyl chloride (414mg, 2mmol). The reaction was stirred at room temperature for 24hr. The solvent was removed in vacuo and the reaction quenched with water (20ml). The product was extracted with EtOAc (3 x 20ml), and the combined organic layers were dried over Na2SO4, and concentrated in vacuo to yield the product, 4-(2- {cyclohexylmethyl-[2-(1H-indol-3-yl)-2-oxo-acetyl]-amino}-ethyl)-piperazine-1- carboxylic acid tert-butyl ester 84, as a brown oil which was carried through to the next step without further purification
Cyclohexanecarboxaldehyde (145muL, 1.2mmol) and Boc-aminoethylpiperazine (229mg, 1 mmol) were stirred in DCM (10ml) at room temperature for 30mins before the addition of STAB (424mg, 2mmol) and acetic acid (114muL, 2mmol). The reaction was stirred at room temperature for 24hr before being quenched with 2M NaOH (20ml) and the product extracted with DCM (3 x 10ml). The combined organic layers were dried over Na2SO4, and concentrated in vacuo to yield a brown oil. The brown oil was dissolved in DCM (10ml) before the addition of triethylamine (278mul, 2mmol) and indole-3-glyoxylyl chloride (414mg, 2mmol). The reaction was stirred at room temperature for 24hr. The solvent was removed in vacuo and the reaction quenched with water (20ml). The product was extracted with EtOAc (3 x 20ml), and the combined organic layers were dried over Na2SO4, and concentrated in vacuo to yield the product, 4-(2- {cyclohexylmethyl-[2-(1 H-indol-3-yl)-2-oxo-acetyl]-amino}-ethyl)-piperazine-1- carboxylic acid tert-butyl ester 84, as a brown oil which was carried through to the next step without further purification.
  • 18
  • [ 765912-47-8 ]
  • [ 13395-36-3 ]
  • [ 2043-61-0 ]
  • [ 1067181-45-6 ]
YieldReaction ConditionsOperation in experiment
30% With acetic acid; at 95℃; for 5h; Example 1 Preparation of 5-cyclohexyl-4-(2,2-dimethylpropionoyl)-3-hydroxy-1-(4-isoxazol-3-ylphenyl)-1,5-dihydropyrrol-2-one (I-32) To a mixture of ethyl (trimethylaceto)pyruvate (1.00 g, 5 mmol) and 4-isoxazol-3-yl-aniline (0.80 g, 5 mmol) in acetic acid (4 mL) was added cyclohexane carboaldehyde (0.61 mL, 5 mmol). The mixture was stirred at 95C for 5 hr, and cooled to r.t.. The precipitate was collected by filtration, washed with ethyl acetate and dried to give 5-cyclohexyl-4-(2,2-dimethylpropionoyl)-3-hydroxy-1-(4-isoxazol-3-ylphenyl)-1,5-dihydropyrrol-2-one (0.60 g, 30%) as pale yellow crystals. mp: 259-260C, 1H-NMR (delta ppm TMS/DMSO-d6) 0.62-1.78 (11H, m), 1.27 (9H, s), 5.28 (1H, d, J = 2.4 Hz), 7.20 (1H, d, J = 1.8 Hz), 7.75 (2H, d, J = 8.7 Hz), 7.98 (2H, d, J = 8.7 Hz), 9.03 (1H, d, J = 1.8 Hz), 11.84 (1H, s).
  • 19
  • [ 615-06-5 ]
  • [ 2043-61-0 ]
  • [ 1272564-84-7 ]
  • 20
  • [ 78-93-3 ]
  • [ 16732-66-4 ]
  • [ 2043-61-0 ]
  • C17H22BrNO [ No CAS ]
  • 21
  • [ 16732-66-4 ]
  • [ 2043-61-0 ]
  • C13H14BrN [ No CAS ]
  • 22
  • [ 16732-66-4 ]
  • [ 2043-61-0 ]
  • C17H22BrNO [ No CAS ]
  • 23
  • [ 38956-79-5 ]
  • [ 2043-61-0 ]
  • 3-cyclohexyl-6-methyl[1,2,4]triazolo[4,3-b]pyridazine [ No CAS ]
  • 24
  • [ 38956-79-5 ]
  • [ 2043-61-0 ]
  • C12H18N4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In ethanol; at 60℃; for 0.5h; General procedure: A mixture of corresponding hydrazinylpyridazine 1 or 5 (1 mmol) and aldehyde 2 (1.1 mmol) in ethanol (5 mL) was heated at 60 oC for 0.5 h. The formation of hydrazone was checked by TLC and the reaction mixture was cooled to rt. Oxone (1.5 mmol) was added to the mixture at rt followed by tetramethyl ammonium bromide (0.2 mmol) and the resulting mixture was heated at 60 oC for another 5 h. The mixture was cooled to rt and extracted with dichloromethane (2 × 25 mL), dried over anhydrous sodium sulphate and concentrated to obtain a residue which was purified by column chromatography using hexane/ethyl acetate as eluent to furnish the desired triazolopyridazines 4 and 7.
In ethanol; at 60℃; for 0.5h; General procedure: A mixture of corresponding hydrazinylpyridazine 1 or 5 (1 mmol) and aldehyde 2 (1.1 mmol) in ethanol (5 mL) was heated at 60 C for 0.5 h. The formation of hydrazone was checked by TLC and the reaction mixture was cooled to rt. Oxone (1.5 mmol) was added to the mixture at rt followed by tetramethyl ammonium bromide (0.2 mmol) and the resulting mixture was heated at 60 C for another 5 h. The mixture was cooled to rt and extracted with dichloromethane (2 × 25 mL), dried over anhydrous sodium sulfate and concentrated to obtain a residue which was purified by column chromatography using hexane/ethyl acetate as eluent to furnish the desired triazolopyridazines 4 and 7 (See reference no; 7 for supporting information).
  • 25
  • [ 96145-98-1 ]
  • [ 2043-61-0 ]
  • [ 1439908-51-6 ]
  • 26
  • [ 7504-94-1 ]
  • [ 2043-61-0 ]
  • C11H16N4 [ No CAS ]
  • 27
  • [ 5350-41-4 ]
  • [ 2043-61-0 ]
  • [ 116544-25-3 ]
  • cis-2-cyclohexyl-3-phenyloxirane [ No CAS ]
YieldReaction ConditionsOperation in experiment
General procedure: Ammonium salt 6 (1 equiv.) was suspended in dry THF (0.05 M) andstirred at 40 °C. t-BuOK (4 equiv.) was added and the mixture was stirred vigorously. After 10 minutes 2 equiv. of aldehyde 2 were added and the mixture was stirred for 3 hours at 40 °C. The reaction was then quenched by addition of a half-saturated NaCl solution. After phase separation, the aqueous phase was extracted three times with DCM and the combined organic phases were dried with Na2SO4 and evaporated to dryness. Purification by columnchromatography (gradient of heptanes and EtOAc) gave the corresponding epoxides in the reported yields as a mixture of diastereomers.
  • 28
  • [ 1986-47-6 ]
  • [ 2043-61-0 ]
  • trans-N-(cyclohexylmethyl)-2-phenylcyclopropanamine [ No CAS ]
YieldReaction ConditionsOperation in experiment
31.2% To the solution of cyclohexanecarbaldehyde (59.5 mg, 0.530 mmol) in tetrahydrofuran (THF) (10 mL) and acetic acid (0.061 mL, 1.061 mmol) was added trans-2-phenylcyclopropyl]amine hydrochloride (180 mg. 1,061mmol). The reaction mixture was stirred for 1 hour, then sodium triacetoxyborohydride (450 mg, 2.122 mmol) was added and the reaction mixture stirred for 2 hours. The reaction mixture was quenched with saturated solution of NH4Cl.Water (10 mL)followed by ethyl acetate (30 mL) were added. The layers were separated and the organic layer was washed with brine, dried over MgSO4, filtered and evaporated. The oil was purified on preparative HPLC (5 to 70% AcCN: H2O gradient with 0.1% formic acid modifier). The fractions were collected. The combined fractions were neutralized with aq. NH4OH, concentrated and extracted with ethyl acetate. Organic layer was washed with brine, dried over MgSO4 and evaporated. trans-N-(Cyclohexylmethyl)-2-phenylcyclopropanamine (40 mg. 0,166 mmol. 31.2% yield) was isolated as colorless liquid.
  • 29
  • [ 67808-64-4 ]
  • [ 100-63-0 ]
  • [ 2043-61-0 ]
  • tert-butyl 1-(4-(methoxycarbonyl)benzyl)spiro[indoline-3,4'-piperidine]-1'-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
15% General procedure: To a solution of cyclohexanecarboxyaldehyde 6a (0.224 mL, 1.85 mmol) in acetic acid (6 mL) phenylhydrazine (7) was added (0.182 mL, 1.85 mmol) and the reaction mixture was then heated to 80 °C for 2 h. Then methyl 4-formylbenzoate 8a (0.359 g, 1.85 mmol) in 1,2-DCE (6 mL) was added at 0 °C and after 15 min NaBH(OAc)3 (0.943 g, 4.25 mmol) was added portionwise. Reaction mixture was stirred at 25 °C for 12 h. Solvents were removed under reduced pressure, residue was diluted with 10 mL of EtOAc and washed with a saturated solution of Na2CO3. The combined organic phases were dried (Na2SO4) and concentrated in vacuo. Purification by column chromatography on silica gel (EtOAc/n-hexane 1:20) afforded the title compound as a yellow oil (yield 16percent).
  • 30
  • [ 66521-66-2 ]
  • [ 108-59-8 ]
  • [ 2043-61-0 ]
  • (+)-dimethyl (cyclohexyl-2-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)methyl)malonate [ No CAS ]
YieldReaction ConditionsOperation in experiment
90% With 3-((3,5-bis(trifluoromethyl)phenyl)amino)-4-(((S)-(6-methoxyquinoline-4-yl))((1S,2S,4S,5R-5-vinylquinuclidine-2-yl)methyl)amino)cyclobutan-3-ene-1,2-dione; In neat liquid; at 50℃; for 48h; General procedure: Reactions were carried out with <strong>[66521-66-2]4-(pyridin-3-yl)pyrimidin-2-amine</strong> 1 (0.50 mmol), aldehyde 2 (0.50 mmol) and malonate 3 (5 mmol) in the presence of catalyst III or IV (10 molpercent) at 50 °C and stirred for 48h. After completion of the reaction (as observed by TLC), the crude product was purified by preparative TLC (GF254 silica gel: hexane/EtOAc = 7/1), giving the target chiral product
  • 31
  • [ 66521-66-2 ]
  • [ 108-59-8 ]
  • [ 2043-61-0 ]
  • (-)-dimethyl (cyclohexyl-2-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)methyl)malonate [ No CAS ]
YieldReaction ConditionsOperation in experiment
86% With quinine; In neat liquid; at 50℃; for 48h; General procedure: Reactions were carried out with <strong>[66521-66-2]4-(pyridin-3-yl)pyrimidin-2-amine</strong> 1 (0.50 mmol), aldehyde 2 (0.50 mmol) and malonate 3 (5 mmol) in the presence of catalyst III or IV (10 molpercent) at 50 °C and stirred for 48h. After completion of the reaction (as observed by TLC), the crude product was purified by preparative TLC (GF254 silica gel: hexane/EtOAc = 7/1), giving the target chiral product
  • 32
  • [ 367-24-8 ]
  • [ 21080-80-8 ]
  • [ 2043-61-0 ]
  • 1-(4-bromo-2-fluorophenyl)-5-cyclohexyl-4-(cyclopropanecarbonyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [ No CAS ]
  • 33
  • [ 615-79-2 ]
  • [ 7149-75-9 ]
  • [ 2043-61-0 ]
  • [ 512177-10-5 ]
  • 34
  • [ 21080-80-8 ]
  • [ 106-49-0 ]
  • [ 2043-61-0 ]
  • 5-cyclohexyl-4-(cyclopropanecarbonyl)-3-hydroxy-1-(4-methyl-phenyl)-1,5-dihydro-2H-pyrrol-2-one [ No CAS ]
  • 35
  • [ 106-49-0 ]
  • [ 13395-36-3 ]
  • [ 2043-61-0 ]
  • [ 512176-94-2 ]
 

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