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Product Details of [ 446292-07-5 ]

CAS No. :446292-07-5
Formula : C21H21N3O5
M.W : 395.41
SMILES Code : O=C1N(C[C@H](O)CNC2=CC=C(N3C(COCC3)=O)C=C2)C(C4=C1C=CC=C4)=O
MDL No. :MFCD11977664
InChI Key :CKFVSMPWXAASIQ-MRXNPFEDSA-N
Pubchem ID :11516758

Safety of [ 446292-07-5 ]

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

Computational Chemistry of [ 446292-07-5 ] Show Less

Physicochemical Properties

Num. heavy atoms 29
Num. arom. heavy atoms 12
Fraction Csp3 0.29
Num. rotatable bonds 6
Num. H-bond acceptors 5.0
Num. H-bond donors 2.0
Molar Refractivity 112.25
TPSA ?

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

99.18 Ų

Lipophilicity

Log Po/w (iLOGP)?

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

2.68
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

0.98
Log Po/w (WLOGP)?

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

0.17
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.

1.19
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

1.65
Consensus Log Po/w?

Consensus Log Po/w: Average of all five predictions

1.33

Water Solubility

Log S (ESOL):?

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

-2.82
Solubility 0.6 mg/ml ; 0.00152 mol/l
Class?

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

Soluble
Log S (Ali)?

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

-2.65
Solubility 0.883 mg/ml ; 0.00223 mol/l
Class?

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

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

-4.92
Solubility 0.00481 mg/ml ; 0.0000122 mol/l
Class?

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

Moderately 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

No
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

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.

-8.02 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

0.0
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)

3.04

Application In Synthesis of [ 446292-07-5 ]

* 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.

  • Upstream synthesis route of [ 446292-07-5 ]
  • Downstream synthetic route of [ 446292-07-5 ]

[ 446292-07-5 ] Synthesis Path-Upstream   1~11

  • 1
  • [ 1252018-10-2 ]
  • [ 1074-82-4 ]
  • [ 446292-07-5 ]
YieldReaction ConditionsOperation in experiment
93% at 20 - 100℃; for 3 h; Example 3:Preparation of 2-((2R)-2-Hydroxy-3-[4-(3-oxomorpholin-4-yl)- phenyl]amino}proply)-1 /-/-isoindole-1 ,3(2H)-dione (7a): Potassium phthalimide (7.16 g, 38.632 mmoL) was added in one portion to a mechanically stirred mixture of 4-[4-(N-(3-chloro-2R-hydroxy-1-propyl)amino)phenyl]morpholin-3- one (10 g, 35.119 mmoL) in DMF (60 mL). The suspension was stirred at room temperature and was heated to 100 °C, stirred at that temperature for 3 h and then cooled to room temperature. Water (60 mL) was charged and the suspension stirred for another 15 min. The suspension was filtered through a Buchner funnel. The solid was washed with water (2 x 40 mL) and dried under vacuum at 50°C for 10 h to yield 2-((2f?)-2-Hydroxy-3-[4-(3-oxomorpholin-4- yl)-phenyl]amino}proply)-1 7-isoindole-1 ,3(2/-/)-dione (12.55 g, 93percent) as a crystalline white solid.1HNMR (400MHz, DMSO-d6) δ 2.99-3.05 (m, 1 H), 3.14-3.2 (m, 1 H), 3.59-3.69 (m, 4H), 3.91-3.94 (m, 2H), 3.97-4.05 (m, 1 H), 4.14 (s, 2H), 5.16 (d, J=5.2 Hz, 1 H), 5.66 (t, J=6.0 Hz, 1 H), 6.61 (d, J=8.7 Hz, 2H), 7.03 (d, J=8.8 Hz, 2H), 7.82-7.88 (m, 4H).
92%
Stage #1: With sodium hydroxide In dichloromethane; water at 20℃; for 8 h;
Stage #2: at 100℃; for 3 h;
The above 57.6 g of intermediate 4 and 400 mL of dichloromethane were charged into a 1 L three-necked flask,A solution of 17.8 g of Na0H and 60 mL of water was added dropwise at room temperature,After stirring at room temperature for 6 h, the organic layer was washed with 120 mL of water and then with 60 mL of saturated brine,The organic layer was dried over anhydrous sodium sulfate,Filtered, concentrated to 180mL of liquid, by adding 360mL n-hexane heated reflux 30min,System cooling to room temperature and then stirring 2h,The filter cake was washed with dichloromethane and n-hexane (1: 3)The filter cake was dried in vacuo for 12 h to give 48.2 g of white crystals.48 g (0.17 mol) of the above solid and 240 mL of the 4-dioxane were charged into a 500 mL three-necked flask,34.4 g (0.19 mol) of potassium phthalimide potassium salt was added with stirring,System gradually heated to 100 ° C, stirring 3h, cooling to room temperature, add 60mL water stirring 15min,Filter, filter cake washed with 2X1 OOmL,White crystals were obtained at 50 ° C in vacuum and dried 1 Oh to give 60.2 g of compound 6 (92percent) mp. = 211.7-211.9 ° C.
87.8% for 10 h; Reflux The reaction flask, and the resulting 32.7g (0.115mol) of intermediate V with 300ml of anhydrous methanol was dissolved, followed by addition of 29.1g (0.157mol) of potassium phthalimide and heated at reflux for 9 hours, TLC in the control (ethyl acetate: methanol = 10: 1, volume ratio) to complete the reaction, filtered hot, the filtrate was lowered to room temperature (about 25 ) was stirred for 2 hours, filtered, the filter cake was rinsed with 75ml of anhydrous methanol, and drying under reduced pressure, intermediate VI to give an off-white about 39.9g (0.101mol), intermediate V molar yield intermediate VI is prepared from about 87.8percent.
87.8% for 9 h; Reflux In the reaction flask, the obtained 32.7 g (0.115 mol) of the intermediate V was dissolved with 300 ml of anhydrous methanol,Then, 29.1 g (0.157 mol) of potassium phthalimide was added and the mixture was heated to reflux for 9 hours.The reaction was completed by TLC (ethyl acetate:methanol=10:1, volume ratio) and the reaction was complete. The filtrate was cooled to room temperature (about 25° C.) and stirred for 2 hours. The mixture was filtered, and the filter cake was rinsed with 75 ml of anhydrous methanol. drying,About 39.9 g (0.101 mol) of the off-white intermediate VI was obtained, and about 87.8percent of the intermediate V was produced in the molar yield of the intermediate VI.
51.4 g for 10 h; Reflux In the reaction flask, the obtained 42.6 g (0.15 mol)Intermediate V was dissolved with 400 ml anhydrous methanol.Then 38.8 g (0.21 mol) of potassium phthalimide was added,The mixture was heated at reflux for 10 hours, and the reaction was completed by TLC (ethyl acetate: methanol = 10:1, volume ratio).Heat filtered, the filtrate was cooled to room temperature (about 25°C) and stirred for 2 hours, filtered,The filter cake was rinsed with 100 ml of anhydrous methanol and dried under reduced pressure to obtain about 51.4 g (0.13 mol) of the off-white intermediate VI. The intermediate V produced the intermediate VI in a molar yield of about 86.7percent.

References: [1] Patent: WO2012/51692, 2012, A1, . Location in patent: Page/Page column 42-43.
[2] Patent: CN103951661, 2017, B, . Location in patent: Paragraph 0043-0044.
[3] Patent: CN104974105, 2017, B, . Location in patent: Paragraph 0073.
[4] Patent: CN104974149, 2018, B, . Location in patent: Paragraph 0074; 0075; 0077; 0081; 0083.
[5] Patent: WO2012/32533, 2012, A2, . Location in patent: Page/Page column 15.
[6] Patent: CN104974148, 2017, B, . Location in patent: Paragraph 0073; 0074; 0076; 0082.
  • 2
  • [ 161596-47-0 ]
  • [ 438056-69-0 ]
  • [ 446292-07-5 ]
YieldReaction ConditionsOperation in experiment
92% at 65 - 70℃; for 32 h; 4-(4-aminophenyl)morpholinone 100 gm, 0.5202 moles and (S)-(+)glycidyl phthalimide 106.6 gm ( 0.5246 moles) was charged to the mixture of, methanol and water 1000 ml (9: 1) and heated to 65°C-70°C. Continued stirring for next 20 hrs at 65°C-70°C. Add second lot of S)-(+)glycidyl phthalimide 10.6 gm (0.05246 moles) and 200 ml (9: 1) methanol water mixture and stir for next 12 hrs. Cooled the reaction mass to 25°C-30°C and filter the slurry on Buckner funnel, suck dried well. Wet cake washed with 100 ml mixture of methanol and water (9: 1). The solid obtained was dried at 50°C to 55°C to get 190 gm compound of Formula-3 as dry material. Yield-92percent
92% for 10 h; Reflux Add 4-(4-aminophenyl)morphin-3-one (192.2 g, 1 mol) to a 1000 ml three-necked flask,2-(2-chloroethoxy)propane(203.2 g, 1 mol), 790 ml of ethanol, stirring was started, the temperature was raised to reflux, and the TLC was detected. It was found that the starting material disappeared after 10 hours of reaction, and the reaction was completed and lowered to room temperature. After suction filtration, 100 ml of ethanol was washed three times, and the compound (4) was dried to obtain 363.78 g, the yield was 92percent, and the HPLC detection was 98.67percent.
89.7% for 14 h; Reflux A mixture of 5.68 g(27.9 mmol) of compound V was added compound VI 5.35 g (27.9 mmol) was suspended in 140 ml of 1/9 water - ethanol, stirring reflux for 14 hours, cooled to 20 °C, filter, filter the filter cake with ethanol 3 times. 65-70 °C under reduced pressure, to obtain 9.9 g of the compound of the formula (I) (yield: 89.7percent ) HPLC content 98.5percent (normalization).
87.5% at 25℃; for 24 h; Reflux In a four neck round bottom flask charged Isopropyl alcohol (135 ml), 4-(4-aminophenyl) morpholin-3-one (10 g), 2-[(2s)-oxiran-2yl methyl]-lH-isoindole-l,3(2H) dione ((11.6 g) and water (15 ml) at 25 to 30°C. Slowly heated the reaction mixture to reflux and maintained for 24 h at reflux temperature. Reaction mass is cooled to 25 to 30°C after completion of the reaction. Reaction mass then maintained at 25 to 30°C for 30 minutes. Finally obtained solid is filtered off and washed by isopropyl alcohol (25 ml) Yield 87.5percent
87.5% for 24 h; Reflux To a 2 litre 4 neck RBF, charge Methanol (1500 ml), 4-(4-aminophenyl)-3-morpholinone Compound (VI), (100 gms), (S)-Glycidyl Phthalimide Compound (V), (127 gms). Reflux the reaction mass for 24 hrs. Cool the reaction mass at 25-30°C and filter. Wash the residue with Methanol (50 ml). Dry the solid at 45-50°C under vacuum. Dry Wt: 180 gms (Theoretical yield: 87.50percent); Purity: 98.20percent
82.6% Reflux A suspension of 4-(4-aminophenyl)morpholin-3-one (100 gm) and 2-[(2S)-oxiran-2-ylmethyl}-1H-isoindole-1,3(2H)-dione (116.2 gm) in isopropyl alcohol and water mixture (l700ml :300 ml) is refluxed for 25-30 h. The precipitated solid is filtered off, washed with isopropyl alcohol (100 ml) to obtain solid, which is then dried under vacuum at 50 to 55 °C for 4 to5 hr to obtain 2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)phenyl]amino}propyl]-1 H-isoindole-1,3(2H)-dione. [Yield = 170 gm (82.6percent); Purity (H PLC) = 95.0 percent]
82.6% Reflux A suspension of 4-(4-aminophenyl)morpholin-3-one (100 gm) and 2-[(2S)-oxiran-2-ylmethyl]-1H-isoindole-1,3(2H)-dione (116.2 gm) in isopropyl alcohol and water mixture (1700 ml:300 ml) is refluxed for 25-30 h.
The precipitated solid is filtered off, washed with isopropyl alcohol (100 ml) to obtain solid, which is then dried under vacuum at 50 to 55° C. for 4 to 5 hr to obtain 2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)phenyl]amino}propyl]-1H-isoindole-1,3(2H)-dione. [Yield=170 gm (82.6percent); Purity (HPLC)=95.0percent]
82.7% at 0 - 60℃; for 20 h; Large scale This example relates to the preparation of 2-{(fl)-2-hydroxy-3-[4-(3-oxo- morpholine-4-yl)-phenylamino]-propyl}isoindol-1 ,3-dione, step a) of the process. 10.0 kg of 4-(4-aminophenyl)morpholine-3-one, 13.0 kg of (S)-(+)-N-(2,3- epoxypropyl)phthalimide and 170 kg of methanol are loaded into a reactor as a single solvent. The mass is heated to around 60 °C and maintained at this temperature for 20 hours, then cooled to 0-10 °C. There is precipitation of the desired product, which is filtered and washed with 30.0 kg of methanol. The product obtained is oven-dried, obtaining 17.0 kg of the desired compound (III), with a reaction yield equal to 82.7percent.
81.4% at 20 - 60℃; for 36 h; 1173 g of 2-[(2S)-2-oxiranylmethyl]-1H-isoindole-1,3(2H)dione (II) and 4-(4-aminophenyl)-3-morpholinone (III) are mixed at 20° C. with 6.7 l of water and 14.4 l of ethanol.
The suspension is heated to 58 to 60° C., and the resulting solution is stirred for 36 hours.
After 2 hours, 5 g of crystalline 2-((2R)-2-hydroxy-3-[4-(3-oxo-4-morpholinyl)phenyl]amino}propyl)-1H-isoindole-1,3(2H)-dione (V) are added to the reaction mixture, after which the product starts to crystallize.
After cooling to 26° C., the precipitated reaction product is filtered off with suction, washed with ethanol and then dried.
Yield: 1522 g; equivalent to 81.4percent of theory.
Melting point: 215° C.
80.68% at 80℃; for 9 h; 238.50 g (1.174 mol) of 2-[(2S)-2-oxiranylmethyl]-1 H-isoindole-1 , 3(2H)-dione (I), 150 g (0.781 mol) of 4-(4-amino phenyl)-3-morpholinone and 3L of ethanol were charged in a 5L flask and the reaction mass was heated at 80 °C for 9 hours. Afterwards the reaction mass was cooled down to 30 °C, and the resulting solid was filtered off and dried under vacuum at 70 °C.Yield: 249 g. Molar yield: 80.68percent. HPLC purity 96.90percent. M.P.: 214 °C. Specific Optical Rotation (S.O.R.): [a ]D25 = +6.24° (c = 1 ,DMSO)
75.4% With water In ethanol at 60℃; for 36 h; Industry scale A suspension of (S) -2- (oxiran-2-ylmethyl) isoindoline-1, 3-dione (4.5kg, 1.22eq) and 4- (4-aminophenyl) morpholin-3-one (3.286kg , 17.088 mol) in ethanol/water (42L/16kg), was heated at 60 0C for 36 hours. It was further cooled to room temperature, the precipitate was filtered, and dried in vacuum. An amount of 5.1 kg of the product was obtained (Yield 75,4percent).
203 g at 80℃; for 8 h; To 100 gm (0.5208 moles) of 4-(4-Aminophenyl) morpholin-3-one (III) in 2500 ml purified water, 185 gm (0.9104 moles) of (S)- Glycidyl Phthalimide (IV) and 1000ml purified water0 was charged and the reaction mixture was heated to 80 °C for 8 hours. The precipitated products was filtered and washed with purified water. The product was dried under vacuum at 60°C to 65°C for 24 hours. Dried weight = 203 gm

References: [1] Journal of Medicinal Chemistry, 2005, vol. 48, # 19, p. 5900 - 5908.
[2] Patent: WO2018/127762, 2018, A1, . Location in patent: Page/Page column 12.
[3] Patent: CN108164519, 2018, A, . Location in patent: Paragraph 0014; 0015; 0016; 0017.
[4] Patent: CN106588905, 2017, A, . Location in patent: Paragraph 0044; 0046-0047.
[5] Patent: WO2014/102820, 2014, A2, . Location in patent: Paragraph 047.
[6] Patent: WO2016/199027, 2016, A1, . Location in patent: Page/Page column 18.
[7] Patent: WO2013/121436, 2013, A2, . Location in patent: Page/Page column 26.
[8] Patent: US2015/11756, 2015, A1, . Location in patent: Paragraph 0117.
[9] Patent: WO2015/198259, 2015, A1, . Location in patent: Page/Page column 6.
[10] Patent: US2005/182055, 2005, A1, . Location in patent: Page/Page column 1; 3.
[11] Patent: WO2005/68456, 2005, A1, . Location in patent: Page/Page column 7.
[12] Patent: WO2013/53739, 2013, A1, . Location in patent: Page/Page column 31.
[13] Patent: WO2011/12321, 2011, A1, . Location in patent: Page/Page column 31.
[14] Patent: WO2013/98833, 2013, A2, . Location in patent: Page/Page column 41.
[15] Patent: US2014/378682, 2014, A1, . Location in patent: Paragraph 0209; 0210.
[16] Patent: WO2016/30669, 2016, A1, . Location in patent: Page/Page column 28.
  • 3
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  • [ 446292-07-5 ]
YieldReaction ConditionsOperation in experiment
75% for 20 h; Reflux Example 3: (2R)-2-Hydroxy-3-[4-(3-oxo-4-morpholinyl)phenyI]aminopropyl-lH-isoindol- l,3(2H)-dione, the compound of formula III(S)-2-(Phthalimidomethyl)oxirane (12.0 g; 0.06 mol) and N-(4-aminophenyl)- morpholinone (10.0 g; 0.05 mol) were charged into a flask and methanol (200 ml) and water (20 ml) were added. The mixture was heated up to boil and refluxed for 20 hours. The white suspension was cooled to the temperature of 15°C, stirred for 1 hour, aspirated and washed with methanol (20 ml) at the temperature of 15°C.The thoroughly aspirated product was dried in a vacuum drier at a temperature up to 60°C. 15.5g (75 percent of theory) of (2R)-2-hydroxy-3-[4-(3-oxo-4-morpholinyl)phenyl]aminopropyl- l H-isoindol- l ,3(2H)-dione with the isomeric purity of 99.0percent were obtained.
References: [1] Patent: WO2012/41263, 2012, A2, . Location in patent: Page/Page column 10.
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References: [1] Patent: US2008/306070, 2008, A1, .
[2] Patent: US2010/120718, 2010, A1, .
[3] Patent: US2010/160301, 2010, A1, .
  • 5
  • [ 446292-04-2 ]
  • [ 446292-07-5 ]
References: [1] Patent: WO2011/12321, 2011, A1, .
[2] Patent: WO2013/98833, 2013, A2, .
[3] Patent: US2014/378682, 2014, A1, .
[4] Patent: WO2016/30669, 2016, A1, .
  • 6
  • [ 122-98-5 ]
  • [ 446292-07-5 ]
References: [1] Patent: WO2011/12321, 2011, A1, .
[2] Patent: WO2013/98833, 2013, A2, .
[3] Patent: US2014/378682, 2014, A1, .
  • 7
  • [ 29518-11-4 ]
  • [ 446292-07-5 ]
References: [1] Patent: WO2011/12321, 2011, A1, .
[2] Patent: WO2013/98833, 2013, A2, .
[3] Patent: US2014/378682, 2014, A1, .
  • 8
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  • [ 1252018-10-2 ]
  • [ 446292-07-5 ]
References: [1] Patent: WO2012/32533, 2012, A2, . Location in patent: Page/Page column 16.
  • 9
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References: [1] Patent: WO2012/32533, 2012, A2, .
[2] Patent: WO2012/32533, 2012, A2, .
[3] Patent: WO2012/51692, 2012, A1, .
[4] Patent: CN104974105, 2017, B, .
[5] Patent: CN104974148, 2017, B, .
[6] Patent: CN103951661, 2017, B, .
[7] Patent: CN104974149, 2018, B, .
  • 10
  • [ 106-50-3 ]
  • [ 446292-07-5 ]
References: [1] Patent: CN104974105, 2017, B, .
[2] Patent: CN104974148, 2017, B, .
[3] Patent: CN104974149, 2018, B, .
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References: [1] Patent: WO2012/41263, 2012, A2, .
 

Historical Records

Technical Information

• Acyl Group Substitution • Appel Reaction • Baeyer-Villiger Oxidation • Barbier Coupling Reaction • Baylis-Hillman Reaction • Bucherer-Bergs Reaction • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chan-Lam Coupling Reaction • Chugaev Reaction • Clemmensen Reduction • Complex Metal Hydride Reductions • Corey-Bakshi-Shibata (CBS) Reduction • Corey-Chaykovsky Reaction • Corey-Kim Oxidation • Dess-Martin Oxidation • Fischer Indole Synthesis • Grignard Reaction • Henry Nitroaldol Reaction • Horner-Wadsworth-Emmons Reaction • Hydride Reductions • Jones Oxidation • Lawesson's Reagent • Leuckart-Wallach Reaction • Mannich Reaction • Martin's Sulfurane Dehydrating Reagent • McMurry Coupling • Meerwein-Ponndorf-Verley Reduction • Mitsunobu Reaction • Moffatt Oxidation • Oxidation of Alcohols by DMSO • Passerini Reaction • Paternò-Büchi Reaction • Petasis Reaction • Peterson Olefination • Pictet-Spengler Tetrahydroisoquinoline Synthesis • Preparation of Alcohols • Preparation of Aldehydes and Ketones • Preparation of Amines • Prins Reaction • Reactions of Alcohols • Reactions of Aldehydes and Ketones • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions with Organometallic Reagents • Reformatsky Reaction • Ritter Reaction • Robinson Annulation • Schlosser Modification of the Wittig Reaction • Schmidt Reaction • Sharpless Olefin Synthesis • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes • Specialized Acylation Reagents-Vilsmeier Reagent • Stobbe Condensation • Swern Oxidation • Tebbe Olefination • Ugi Reaction • Wittig Reaction • Wolff-Kishner Reduction

Categories

Related Functional Groups of
[ 446292-07-5 ]

Aryls

Chemical Structure| 446292-08-6

A283241 [446292-08-6]

(S)-2-((2-Oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione

Similarity: 0.85

Chemical Structure| 51207-86-4

A110083 [51207-86-4]

(4-Aminophenyl)(morpholino)methanone

Similarity: 0.83

Chemical Structure| 183557-81-5

A178642 [183557-81-5]

3-Morpholinobenzamide

Similarity: 0.80

Chemical Structure| 5388-42-1

A801405 [5388-42-1]

2-Phenylisoindolin-1-one

Similarity: 0.77

Chemical Structure| 58028-76-5

A352413 [58028-76-5]

2-Morpholinobenzaldehyde

Similarity: 0.75

Alcohols

Chemical Structure| 153744-36-6

A199465 [153744-36-6]

Methyl 3-(1,3-dioxoisoindolin-2-yl)-2-hydroxypropanoate

Similarity: 0.68

Chemical Structure| 452105-23-6

A124138 [452105-23-6]

(S,Z)-5-((5-Fluoro-2-oxoindolin-3-ylidene)methyl)-N-(2-hydroxy-3-morpholinopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide

Similarity: 0.68

Chemical Structure| 883-44-3

A139927 [883-44-3]

2-(3-Hydroxypropyl)isoindoline-1,3-dione

Similarity: 0.67

Chemical Structure| 73334-07-3

A889584 [73334-07-3]

N1,N3-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(2-methoxyacetamido)-N1-methylisophthalamide

Similarity: 0.66

Chemical Structure| 3891-07-4

A144263 [3891-07-4]

2-(2-Hydroxyethyl)isoindoline-1,3-dione

Similarity: 0.66

Amides

Chemical Structure| 446292-08-6

A283241 [446292-08-6]

(S)-2-((2-Oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione

Similarity: 0.85

Chemical Structure| 51207-86-4

A110083 [51207-86-4]

(4-Aminophenyl)(morpholino)methanone

Similarity: 0.83

Chemical Structure| 183557-81-5

A178642 [183557-81-5]

3-Morpholinobenzamide

Similarity: 0.80

Chemical Structure| 161596-47-0

A546157 [161596-47-0]

(S)-2-(Oxiran-2-ylmethyl)isoindoline-1,3-dione

Similarity: 0.77

Chemical Structure| 5388-42-1

A801405 [5388-42-1]

2-Phenylisoindolin-1-one

Similarity: 0.77

Amines

Chemical Structure| 51207-86-4

A110083 [51207-86-4]

(4-Aminophenyl)(morpholino)methanone

Similarity: 0.83

Chemical Structure| 183557-81-5

A178642 [183557-81-5]

3-Morpholinobenzamide

Similarity: 0.80

Chemical Structure| 169939-93-9

A280932 [169939-93-9]

(7S)-7-((Dimethylamino)methyl)-22,25-dihydro-11H,21H,31H-6-oxa-1,3(3,1)-diindola-2(3,4)-pyrrolacyclononaphane-22,25-dione hydrochloride

Similarity: 0.75

Chemical Structure| 2307-00-8

A179899 [2307-00-8]

5-Amino-2-methylisoindoline-1,3-dione

Similarity: 0.71

Chemical Structure| 74441-06-8

A715792 [74441-06-8]

4-Amino-N-(4-carbamoylphenyl)benzamide

Similarity: 0.71

Related Parent Nucleus of
[ 446292-07-5 ]

Morpholines

Chemical Structure| 446292-08-6

A283241 [446292-08-6]

(S)-2-((2-Oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione

Similarity: 0.85

Chemical Structure| 51207-86-4

A110083 [51207-86-4]

(4-Aminophenyl)(morpholino)methanone

Similarity: 0.83

Chemical Structure| 183557-81-5

A178642 [183557-81-5]

3-Morpholinobenzamide

Similarity: 0.80

Chemical Structure| 58028-76-5

A352413 [58028-76-5]

2-Morpholinobenzaldehyde

Similarity: 0.75

Chemical Structure| 1204-86-0

A384262 [1204-86-0]

4-Morpholinobenzaldehyde

Similarity: 0.72

Indolines

Chemical Structure| 446292-08-6

A283241 [446292-08-6]

(S)-2-((2-Oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione

Similarity: 0.85

Chemical Structure| 161596-47-0

A546157 [161596-47-0]

(S)-2-(Oxiran-2-ylmethyl)isoindoline-1,3-dione

Similarity: 0.77

Chemical Structure| 5388-42-1

A801405 [5388-42-1]

2-Phenylisoindolin-1-one

Similarity: 0.77

Chemical Structure| 181140-34-1

A556055 [181140-34-1]

(R)-2-(Oxiran-2-ylmethyl)isoindoline-1,3-dione

Similarity: 0.72

Chemical Structure| 2307-00-8

A179899 [2307-00-8]

5-Amino-2-methylisoindoline-1,3-dione

Similarity: 0.71