7-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

Base Information

• Chemical Name: 7-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
• CAS No.: 22245-90-5
• Molecular Formula: C10H11NO2
• Molecular Weight: 177.20000
• European Community (EC) Number: 831-161-2
• Mol file: 22245-90-5.mol

Synonyms:7-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one;22245-90-5;7-HYDROXY-1,3,4,5-TETRAHYDRO-1-BENZAZEPIN-2-ONE;7-hydroxy-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one;SCHEMBL6405990;AKOS023598673;CS-0225008;EN300-122259;Z1509164164

Chemical Property of 7-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

Chemical Property:

• Melting Point: 241 - 245 °C
• PSA: 49.33000
• LogP: 1.80500
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 177.078978594
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

7-Hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 7-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

There total 4 articles about 7-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-2-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: 64.0%

7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one (1312005-59-6) → 1,3,4,5-tetrahydro-7-hydroxy-2H-1-benzazepin-2-one (22245-90-5)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; In tetrahydrofuran; at 20 ℃; for 2h;

Reference yield:

2,3,4,5-tetrahydro-1H-1-benzo[b]azepin-2-one (4424-80-0) → 1,3,4,5-tetrahydro-7-hydroxy-2H-1-benzazepin-2-one (22245-90-5)

Guidance literature:

Multi-step reaction with 3 steps

1: N-Bromosuccinimide / N,N-dimethyl-formamide / 6 h / 0 °C / Heating

2: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; triethylamine / acetonitrile / 48 h / Inert atmosphere; Reflux

3: dihydrogen peroxide; sodium hydroxide / tetrahydrofuran / 2 h / 20 °C

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; N-Bromosuccinimide; dihydrogen peroxide; triethylamine; sodium hydroxide; In tetrahydrofuran; N,N-dimethyl-formamide; acetonitrile;

Reference yield:

7-Brom-1,3,4,5-tetrahydro-2H-benzazepin-2-on (53841-99-9) → 1,3,4,5-tetrahydro-7-hydroxy-2H-1-benzazepin-2-one (22245-90-5)

Guidance literature:

Multi-step reaction with 2 steps

1: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; triethylamine / acetonitrile / 48 h / Inert atmosphere; Reflux

2: dihydrogen peroxide; sodium hydroxide / tetrahydrofuran / 2 h / 20 °C

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; dihydrogen peroxide; triethylamine; sodium hydroxide; In tetrahydrofuran; acetonitrile;

upstream raw materials:

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

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

7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one

Downstream raw materials:

C₁₇H₁₆ClNO₂

7-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

C₁₇H₁₆ClNO₂

C₁₇H₁₆ClNO₂

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