7-Amino-4,5-dihydro-1H-benzo[B]azepin-2(3H)-one

Base Information

• Chemical Name: 7-Amino-4,5-dihydro-1H-benzo[B]azepin-2(3H)-one
• CAS No.: 22245-92-7
• Molecular Formula: C10H12N2O
• Molecular Weight: 176.218
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40429110
• Wikidata: Q72442241
• Mol file: 22245-92-7.mol

Synonyms:22245-92-7;7-AMINO-4,5-DIHYDRO-1H-BENZO[B]AZEPIN-2(3H)-ONE;7-AMINO-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE;7-amino-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one;7-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one;7-amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one;SCHEMBL519951;DTXSID40429110;QEZZUFANNFFZIH-UHFFFAOYSA-N;MFCD09260841;AKOS009165943;PB29619;AS-42137;CS-0004303;EN300-69099;A852081;7-amino-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one;Z291280252

Chemical Property of 7-Amino-4,5-dihydro-1H-benzo[B]azepin-2(3H)-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 426.313°C at 760 mmHg
• PKA: 14.76±0.20(Predicted)
• Flash Point: 211.627°C
• PSA: 55.12000
• Density: 1.184g/cm³
• LogP: 2.26280
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 176.094963011
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

97% ^*data from raw suppliers

7-Amino-4,5-dihydro-1H-benzo[B]azepin-2(3H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=CC(=C2)N)NC(=O)C1

Technology Process of 7-Amino-4,5-dihydro-1H-benzo[B]azepin-2(3H)-one

There total 8 articles about 7-Amino-4,5-dihydro-1H-benzo[B]azepin-2(3H)-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: 96.0%

1,3,4,5-Tetrahydro-7-nitro-2H-benzazepin-2-on (22246-45-3) → 7-Amino-1,3,4,5-tetrahydro-2H-benzazepin-2-on (22245-92-7)

Guidance literature:

With hydrazine hydrate; Pd/C; In ethanol; for 0.5h; Heating;

Reference yield:

(1E)-6-Amino-3,4-dihydro-1(2H)-naphthalenone oxime (939043-29-5) → 7-amino-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one (22246-68-0) + 7-Amino-1,3,4,5-tetrahydro-2H-benzazepin-2-on (22245-92-7)

Guidance literature:

(1E)-6-Amino-3,4-dihydro-1(2H)-naphthalenone oxime; at 90 - 120 ℃; for 4.5h;

With water; at 0 ℃; for 0.5h;

With sodium hydroxide; In water; at 90 ℃;

Reference yield:

2,3,4,5-tetrahydro-1H-1-benzo[b]azepin-2-one (4424-80-0) → 7-Amino-1,3,4,5-tetrahydro-2H-benzazepin-2-on (22245-92-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / HNO₃,H₂SO₄

2: 96 percent / 95percent N₂H₄*H₂O / 4percentPd,C / ethanol / 0.5 h / Heating

With sulfuric acid; nitric acid; hydrazine hydrate; Pd/C; In ethanol;

upstream raw materials:

1,3,4,5-Tetrahydro-7-nitro-2H-benzazepin-2-on

2,3,4,5-tetrahydro-1H-1-benzo[b]azepin-2-one

1-tetralone oxime

3,4-dihydronaphthalene-1(2H)-one

Downstream raw materials:

7-Chlor-1,3,4,5-tetrahydro-2H-benzazepin-2-on

7-Brom-1,3,4,5-tetrahydro-2H-benzazepin-2-on

2-[5-chloro-2-(2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-ylamino)-pyrimidin-4-ylamino]-3-fluoro-N-methyl-benzamide

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