3-amino-3-methyl-N-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide

Base Information

Chemical Name:3-amino-3-methyl-N-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide
CAS No.:145455-23-8
Molecular Formula:C₂₉H₃₁N₇O₂
Molecular Weight:509.611
Hs Code.:
UNII:6GM6ZN5S1Y
DSSTox Substance ID:DTXSID20163045
Nikkaji Number:J589.808K
Wikidata:Q27078402
Pharos Ligand ID:U4MWBRMYH815
ChEMBL ID:CHEMBL308716
Mol file:145455-23-8.mol

Synonyms:L 692,429;L 692429;L-692,429;L-692429

Suppliers and Price of 3-amino-3-methyl-N-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide

Supply Marketing:

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

Manufacturers and distributors:

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Total 5 raw suppliers

Chemical Property of 3-amino-3-methyl-N-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:509.25392326
Heavy Atom Count:38
Complexity:815

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(CC(=O)NC1CCC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)N
Isomeric SMILES:CC(C)(CC(=O)N[C@@H]1CCC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)N

Technology Process of 3-amino-3-methyl-N-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide

There total 10 articles about 3-amino-3-methyl-N-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide 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: 96.0%

: 3-<(tert-butoxycarbonyl)amino>-3-methyl-N-<2,3,4,5-tetrahydro-2-oxo-1-<<2'-<1,1'-biphenyl>-4-yl>methyl>-1H-1-benzazepin-3-yl>butanamide

: 145455-23-8
L-158432

Guidance literature:: With hydrogenchloride; In acetic acid; for 14h; Ambient temperature;
DOI:10.1021/jm00033a006

Reference yield:

: 97278-68-7,86499-24-3
3-azido-2,3,4,5-tetrahydro-2-oxo-1 H-1-benzazepine

: 145455-23-8
L-158432

Guidance literature:: Multi-step reaction with 4 steps

1: 88 percent / H₂ / 5percent Pt/C / methanol / 4.5 h / 2068.6 Torr / Ambient temperature

2: 87 percent / diisopropylethylamine, BOP / CH₂Cl₂ / 2 h / Ambient temperature

3: 1.) sodium hydride / 1.) DMF, 20 min, 2.) DMF, 2 h

4: 96 percent / 6N HCl / acetic acid / 14 h / Ambient temperature

With hydrogenchloride; hydrogen; sodium hydride; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; platinum on activated charcoal; In methanol; dichloromethane; acetic acid;
DOI:10.1021/jm00033a006

Reference yield:

: 4879-95-2
4,4-dimethyl-azetidin-2-one

: 145455-23-8
L-158432

Guidance literature:: Multi-step reaction with 5 steps

1: triethylamine, DMPA / CH₂Cl₂ / Ambient temperature

2: 87 percent / 1.0 M aq. lithium hydroxide / tetrahydrofuran / 2 h / 0 - 5 °C

3: 87 percent / diisopropylethylamine, BOP / CH₂Cl₂ / 2 h / Ambient temperature

4: 1.) sodium hydride / 1.) DMF, 20 min, 2.) DMF, 2 h

5: 96 percent / 6N HCl / acetic acid / 14 h / Ambient temperature

With hydrogenchloride; lithium hydroxide; 0,2,4-dichlorophenyl-0-methylisopropylamidothiophosphate; sodium hydride; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; dichloromethane; acetic acid;
DOI:10.1021/jm00033a006