(3S)-3-Amino-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetatic acid1,2-dimeth
Grundinformationen
- CAS
117770-66-8- Standard-SMILES
CC(C)(C)OC(=O)CN1C(=O)C(N)CCc2ccccc21.O=C(O)C(O)C(O)C(=O)O- InChIKey
DLYKUHWZMNJPSM-UHFFFAOYSA-N- Summenformel
- C20H28N2O9
- Durchschnittliche Molmasse
- 440,4 g/mol
- Monoisotopische Masse
- 440,17948047
Namen und Bezeichner
- Bevorzugter Name
- (3S)-3-Amino-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetatic acid1,2-dimeth
- IUPAC
- tert-butyl 2-(3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate;2,3-dihydroxybutanedioic acid
- Englischer Name
- tert-Butyl 3S-amino-2,3,4,5-tetrahydro-1H-[1]benaepin-2-one-1-acetate tartrate
- Summenformel
- C16H22N2O3.C4H6O6
- Molmasse
- 440.45
Namen und Synonyme
117770-66-8(3S)-3-Amino-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetatic acid1,2-dimeth182561-27-9DTXSID10554362tert-butyl 2-(3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate;2,3-dihydroxybutanedioic acidDB-0147952,3-Dihydroxybutanedioic acid--tert-butyl (3-amino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetate (1/1)tert-Butyl 3S-amino-2,3,4,5-tetrahydro-1H-[1]benaepin-2-one-...T-BUTYL 3S-AMINO-2,3,4,5-TETRAHYDRO-1H-1BENAEPIN-2-ONE-1-ACETATE-TARTRATEtert-Butyl 3S-amino-2,3,4,5-tetrahydro-1H-[1]benaepin-2-one-1-acetate tartratetert-Butyl 2-[(3S)-3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate L-tartrate(3S)-Amino-2,3,4,5-tetrahydro-1H-[1]benzazepin-2-one-1-aceticacidtert-butylestertartrate
Weitere Namen anzeigen
3S-Amino-2,3,4,5-tetrahydro-1H-[1]benzazepin-2-one-1-carboxylicAcidtert-ButylEsterTartrateSalttert-butyl 2-(3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate,2,3-dihydroxybutanedioic acidTert-butyl (S)-2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate (2R,3R)-2,3-dihydroxysuccinate
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 188 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 537
Physikochemische Eigenschaften
- Schmelzpunkt
- 190 °C · 190°C (dec.)
- InChIKey
- DLYKUHWZMNJPSM-IXYLYIHZNA-N
- SMILES
- N1(CC(OC(C)(C)C)=O)C2=C(C=CC=C2)CC[C@H](N)C1=O.[C@H](O)(C(O)=O)[C@@H](O)C(O)=O |&1:17,21,26,r|
Chemie und Industrie
Darstellung
synthetischeThe preparation of the tert-Butyl 3S-amino-2,3,4,5-tetrahydro-1H-benaepin-2-one-1-acetate tartrate is as follows:Chiral Resolution Of Highly Pure (+1-T-BUTYLOX CARBONYLMETHYL-3-AMINO- 2, 3, 4N5-TETRAHYDRO-LH-[L] BENZAZEPIN-2-ONE USING Tartaric Acid Part A: Preparation of Highly Pure (S)-L-T-BUTYLOXYCARBONYLMETHYL-3-AMINO- 2,3, 4, 5-Tetrahydro-lh- [l] Benzazepin-2-One Tartrate Salt of Formula V Highly pure 1-t-butyloxycarbonylmethyl-3-amino-2, 3, 4, 5-TETRAHYDRO-LH- BENZAZEPIN-2-ONE of Formula II (5.0 g, 17.24 mmol) was heated in ethanol (12.5 ml) at 50-55°C for 25 minutes. The temperature was further raised to 60-65°C and to this was added a solution of L- (+)-tartaric acid (1.8g, 11.9mmol) in ethanol (7.5ml). The reaction mixture was stirred for 24 hours at 60-65°C, allowed to cool to 35-37°C and filtered at the same temperature to afford the crude product (2.75g, 72%). This was suspended in alcohol (11ml) and stirred at 62-65°C for 3 hours, allowed to cool to 45-47°C and filtered to afford the title compound. Yield: 2.55 g, 93% Purity: 99.87%
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湖北鑫立恒化工有限公司13164644252 · [email protected]
Zhejiang Karry Pharmachem Co., Ltd.13131752837 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
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