1-(4-Aminobenzoyl)-7-chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one

Base Information

Chemical Name:1-(4-Aminobenzoyl)-7-chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one
CAS No.:137984-95-3
Molecular Formula:C₁₇H₁₅ClN₂O₂
Molecular Weight:314.771
Hs Code.:
UNII:AA2V3987Z7

Synonyms:137984-95-3;SCHEMBL7349936;AA2V3987Z7;1-(4-Aminobenzoyl)-7-chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one;DB-290724;1-(4-Aminobenzoyl)-7-chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one;1-(4-Aminobenzoyl)-7-chloro-3,4-dihydro-1h-benzo[b]azepin-5(2h)-one;5H-1-Benzazepin-5-one, 1-(4-aminobenzoyl)-7-chloro-1,2,3,4-tetrahydro-

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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 1-(4-Aminobenzoyl)-7-chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:314.0822054
Heavy Atom Count:22
Complexity:434

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC(=O)C2=C(C=CC(=C2)Cl)N(C1)C(=O)C3=CC=C(C=C3)N

Technology Process of 1-(4-Aminobenzoyl)-7-chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one

There total 8 articles about 1-(4-Aminobenzoyl)-7-chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one 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: 66.0%

: 137984-92-0
7-chloro-1-(4-nitrobenzoyl)-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine

: 137984-95-3
1-(4-aminobenzoyl)-7-chloro-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine

Guidance literature:: With hydrogenchloride; hydrogen; platinum(IV) oxide; In acetic acid; under 760 Torr;
DOI:10.1016/S0968-0896(99)00101-7

Reference yield:

: 5202-89-1
4-chlorobenzenesulfonyl chloride

: 137984-95-3
1-(4-aminobenzoyl)-7-chloro-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine

Guidance literature:: Multi-step reaction with 6 steps

1.1: 85 percent / pyridine / 20 °C

2.1: 94 percent / K₂CO₃ / dimethylformamide / 4 h / 120 °C

3.1: t-BuOK / toluene / 0.5 h / Heating

3.2: 60 percent / conc. HCl / acetic acid / 5 h / Heating

4.1: 81 percent / polyphosphoric acid / 1.5 h / 80 - 100 °C

5.1: 57 percent / Et₃N / CH₂Cl₂ / 2 h / 20 °C

6.1: 66 percent / conc. HCl; H₂ / PtO₂ / acetic acid / 760 Torr

With pyridine; hydrogenchloride; PPA; potassium tert-butylate; hydrogen; potassium carbonate; triethylamine; platinum(IV) oxide; In dichloromethane; acetic acid; N,N-dimethyl-formamide; toluene; 1.1: Tosylation / 2.1: Alkylation / 3.1: Cyclization / 3.2: Hydrolysis / 4.1: detosylation / 5.1: Acylation / 6.1: Hydrogenation;
DOI:10.1016/S0968-0896(99)00101-7

Reference yield:

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 137984-95-3
1-(4-aminobenzoyl)-7-chloro-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine

Guidance literature:: Multi-step reaction with 8 steps

1.1: 100 percent / K₂CO₃ / acetone / 0.5 h / Heating

2.1: SnCl₂*2H₂O; conc. HCl / ethanol / 20 °C

3.1: 85 percent / pyridine / 20 °C

4.1: 94 percent / K₂CO₃ / dimethylformamide / 4 h / 120 °C

5.1: t-BuOK / toluene / 0.5 h / Heating

5.2: 60 percent / conc. HCl / acetic acid / 5 h / Heating

6.1: 81 percent / polyphosphoric acid / 1.5 h / 80 - 100 °C

7.1: 57 percent / Et₃N / CH₂Cl₂ / 2 h / 20 °C

8.1: 66 percent / conc. HCl; H₂ / PtO₂ / acetic acid / 760 Torr

With pyridine; hydrogenchloride; PPA; potassium tert-butylate; hydrogen; potassium carbonate; triethylamine; tin(ll) chloride; platinum(IV) oxide; In ethanol; dichloromethane; acetic acid; N,N-dimethyl-formamide; acetone; toluene; 1.1: Esterification / 2.1: Reduction / 3.1: Tosylation / 4.1: Alkylation / 5.1: Cyclization / 5.2: Hydrolysis / 6.1: detosylation / 7.1: Acylation / 8.1: Hydrogenation;
DOI:10.1016/S0968-0896(99)00101-7