(7-Chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)(2-methyl-4-nitrophenyl)methanone

Base Information

Chemical Name:(7-Chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)(2-methyl-4-nitrophenyl)methanone
CAS No.:313673-96-0
Molecular Formula:C₁₈H₁₇ClN₂O₃
Molecular Weight:344.798
Hs Code.:
DSSTox Substance ID:DTXSID001129867

Synonyms:DTXSID001129867;(7-Chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)(2-methyl-4-nitrophenyl)methanone;313673-96-0

Suppliers and Price of (7-Chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)(2-methyl-4-nitrophenyl)methanone

Supply Marketing:

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

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Chemical Property of (7-Chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)(2-methyl-4-nitrophenyl)methanone

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:344.0927701
Heavy Atom Count:24
Complexity:481

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)N2CCCCC3=C2C=CC(=C3)Cl

Technology Process of (7-Chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)(2-methyl-4-nitrophenyl)methanone

There total 3 articles about (7-Chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)(2-methyl-4-nitrophenyl)methanone 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: 91.0%

: 30459-70-2
2-methyl-4-nitrobenzoyl chloride

: 313673-94-8
7-chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepine

: 313673-96-0
(7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)-2-methyl-4-nitrobenzamide

Guidance literature:: With pyridine; In dichloromethane; for 1h;
DOI:10.1021/jm000108p

Reference yield:

: 193686-76-9
7-chloro-1-(4-methylbenzenesulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one

: 313673-96-0
(7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)-2-methyl-4-nitrobenzamide

Guidance literature:: Multi-step reaction with 3 steps

1: 93 percent / hydrazine monohydrate; KOH / bis-(2-hydroxy-ethyl) ether / 6 h / Heating

2: 100 percent / Mg; methanol / 4 h

3: 91 percent / pyridine / CH₂Cl₂ / 1 h

With pyridine; methanol; potassium hydroxide; hydrazine hydrate; magnesium; In dichloromethane; diethylene glycol; 1: Wolff-Kishner reduction;
DOI:10.1021/jm000108p

Reference yield:

: 313673-93-7
7-chloro-1-toluenesulfonyl-2,3,4,5-tetrahydro-1H-1-benzazepine

: 313673-96-0
(7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)-2-methyl-4-nitrobenzamide

Guidance literature:: Multi-step reaction with 2 steps

1: 100 percent / Mg; methanol / 4 h

2: 91 percent / pyridine / CH₂Cl₂ / 1 h

With pyridine; methanol; magnesium; In dichloromethane;
DOI:10.1021/jm000108p