ChemicalBook--->CAS DataBase List--->109010-60-8

109010-60-8

109010-60-8 Structure

109010-60-8 Structure
IdentificationMore
[Name]

S-ATBA
[CAS]

109010-60-8
[Synonyms]

{(3s)-3-[(1s)-1-ethoxycarbonyl-3-phenylpropylamino]-2,3,4,5-tetrahydro-2-oxo-1h-1-benzazepin-1-yl}acetic acid hydrochloride
(3S)-3-[[(1S)-1-(ETHOXYCARBONYL)-3-PHENYLPROPYL]AMINO]-2,3,4,5-TETRAHYDRO-2-OXO-1H-1-BENZAZEPINE-1-A
(3S)-3-[[(1S)-1-(ETHOXYCARBONYL)-3-PHENYLPROPYL]AMINO]-2,3,4,5-TETRAHYDRO-2-OXO-1H-1-BENZAZEPINE-1-ACETIC ACID HYDROCHLORIDE
(3S)-3-AMINO-1-(TERT-BUTYLCARBOXYMETHYL)-2,3,4,5-TETRAHYDRO-1H-BENZAZEPIN-2-ONE
3-(S)-AMINO-1-TERTBUTYLOXYCARBONYLMETHYL-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-2-ONE
BENAZEPRIL HCL
BENAZEPRIL HYDROCHLORIDE
(S)-3-AMINO-1-(TERT-BUTOXYCARBONYLMETHYL)-2,3,4,5-TETRAHYDRO-1H-BENZAZEPIN-2-ONE
(s)-3-amino-2,3,4,5-tetrahydro-2-oxo-1h-1-benazepine-1-acetic acid 1,1-dimethyl ethyl ester
(S)-3-AMINO-2,3,4,5-TETRAHYDRO-2-OXO-1H-1-BENZAZEPINE-1-ACETIC ACID 1,1-DIMETHYL ETHYL ESTER
s-atba
(S)-TERT-BUTYL 2-(3-AMINO-2-OXO-2,3,4,5-TETRAHYDROBENZO[B]AZEPIN-1-YL)ACETATE
T-BUTYL 3-(S)-AMINO-2,3,4,5-TETRAHYDRO-1H-[1]BENZEPINE-2-ONE-1-ACETATE
TERT-BUTYL-3-AMINO-2,3,4,5-TETRAHYDRO-2-OXO-1H-(3S)-BENZAZEPINE-1-ACETATE
TERTBUTYL (3S)-3-AMINO-2,3,4,5-TETRAHYDRO-1H-(1)-BENZAZEPIN-2-ONE-1-ACETATE
TERT-BUTYL-(S)-(3-AMINO-2-OXO-2,3,4,5-TETRAHYDROBENZO[B]AZEPIN-1-YL)ACETATE
(S)-tert-butyl-2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate
BNZ
3-(S)-amino-1-tertbutyloxycarbonylmethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-2-on
(S)-3-AMINO-2,3,4,5-TETRAHYDRO-2-OXO-1H-1-BENZAZEPINE-1-ACETATIC ACID-1,1-DIMETHYLETHYL
[EINECS(EC#)]

1806241-263-5
[Molecular Formula]

C24H29ClN2O5
[MDL Number]

MFCD00895734
[Molecular Weight]

460.95
[MOL File]

109010-60-8.mol
Chemical PropertiesBack Directory
[Appearance]

Off-White Solid
[Melting point ]

115-116°C
[alpha ]

-270 º (c=0.5, EtOH)
[Boiling point ]

483.2±45.0 °C(Predicted)
[density ]

1.133±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[solubility ]

DMSO: ~34 mg/mL, soluble
[form ]

solid
[pka]

7.37±0.20(Predicted)
[color ]

white
[Optical Rotation]

Consistent with structure
[Usage]

An intermediate in the synthesis of benazepril
[Major Application]

pharmaceutical (small molecule)
[InChI]

InChI=1S/C16H22N2O3/c1-16(2,3)21-14(19)10-18-13-7-5-4-6-11(13)8-9-12(17)15(18)20/h4-7,12H,8-10,17H2,1-3H3/t12-/m0/s1
[InChIKey]

QTEDVVHLTMELTB-LBPRGKRZSA-N
[SMILES]

N1(CC(OC(C)(C)C)=O)C2=CC=CC=C2CC[C@H](N)C1=O
[CAS DataBase Reference]

109010-60-8(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H317-H335
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

2
[RTECS ]

CX7065000
[REACH Registrations]

Active
[HS Code ]

2933790002
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

An intermediate in the synthesis of benazepril
[Application]

S-ATBA can be used in the manufacture of the novel antihypertensive drug angiotensin-converting enzyme inhibitor (ACE-I) benazepril.
Spectrum DetailBack Directory
[Spectrum Detail]

S-ATBA(109010-60-8)1HNMR
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