Benazepril tert-Butyl Ester

Base Information Edit

Chemical Name:Benazepril tert-Butyl Ester
CAS No.:109010-61-9
Molecular Formula:C28H36N2O5
Molecular Weight:480.604
Hs Code.:
UNII:CMP9XG35ZG
DSSTox Substance ID:DTXSID501103905
Nikkaji Number:J1.347.098G
Mol file:109010-61-9.mol

Synonyms:Benazepril tert-Butyl Ester;109010-61-9;ethyl (2S)-2-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenylbutanoate;1H-1-Benzazepine-1-acetic acid,3-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester, (3S)-;benazepril t-butyl ester;CMP9XG35ZG;SCHEMBL3916055;DTXSID501103905;1,1-Dimethylethyl (3S)-3-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetate;1H-1-Benzazepine-1-acetic acid, 3-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester, (3S)-

Suppliers and Price of Benazepril tert-Butyl Ester

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benazepril tert-Butyl Ester Edit

Chemical Property:

XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:12
Exact Mass:480.26242225
Heavy Atom Count:35
Complexity:713

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)OC(C)(C)C
Isomeric SMILES:CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)OC(C)(C)C

Technology Process of Benazepril tert-Butyl Ester

There total 16 articles about Benazepril tert-Butyl Ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

: 107-59-5
tert-Butyl chloroacetate

: 367909-45-3,86499-39-0
(2S,3'S)-2-(2'-oxo-2',3',4',5'-tetrahydro-1H-benzo[b]azepin-3'-ylamino)-4-phenylbutyric acid ethyl ester

: 109010-61-9
(2S,3'S)-2-(1-tert-butoxycarbonylmethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylamino)-4-phenylbutyric acid ethyl ester

Guidance literature:: (2S,3'S)-2-(2'-oxo-2',3',4',5'-tetrahydro-1H-benzo[b]azepin-3'-ylamino)-4-phenylbutyric acid ethyl ester; With potassium hydroxide; tetrabutylammomium bromide; In tetrahydrofuran; at 0 ℃; for 0.5h;

tert-Butyl chloroacetate; In tetrahydrofuran; at 20 ℃; for 5h;
DOI:10.1016/S0957-4166(03)00453-1

Reference yield:

: 90315-82-5
ethyl (R)-2-hydroxy-4-phenylbutyrate

: 109010-61-9
(2S,3'S)-2-(1-tert-butoxycarbonylmethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylamino)-4-phenylbutyric acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / ethyl acetate / 3 h / 0 - 25 °C

2: sodium carbonate / ethyl acetate / 20 h / 80 °C / 760.05 Torr

With sodium carbonate; triethylamine; In ethyl acetate;