8-Methyl-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

Base Information

Chemical Name:8-Methyl-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
CAS No.:86499-66-3
Molecular Formula:C₁₁H₁₃NO
Molecular Weight:175.23
Hs Code.:2933990090
European Community (EC) Number:847-892-5
DSSTox Substance ID:DTXSID80405317
Mol file:86499-66-3.mol

Synonyms:86499-66-3;8-Methyl-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one;8-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one;MFCD04038668;8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one;8-methyl-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one;SCHEMBL7428888;DTXSID80405317;AKOS006295404;SY317791;CS-0236247;Y13655;EN300-1699012;8-METHYL-1,3,4,5-TETRAHYDRO-2H-BENZO[B]AZEPIN-2-ONE

Suppliers and Price of 8-Methyl-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of 8-Methyl-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

Chemical Property:

Vapor Pressure:6.16E-05mmHg at 25°C
Melting Point:153-154 °C
Refractive Index:1.543
Boiling Point:345.4°C at 760 mmHg
PKA:15.13±0.20(Predicted)
Flash Point:203.6°C
PSA：32.59000
Density:1.076g/cm³
LogP:2.35490
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:175.099714038
Heavy Atom Count:13
Complexity:202

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=C(CCCC(=O)N2)C=C1

Technology Process of 8-Methyl-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

There total 8 articles about 8-Methyl-1,3,4,5-tetrahydro-2H-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: 90.0%

: N-(2-(1-hydroxycyclobutyl)-5-methylphenyl)amine

: 86499-66-3
8-methyl-1,3,4,5-tetrahydro-benz[b]azepin-2-one

Guidance literature:: With bis-[(trifluoroacetoxy)iodo]benzene; scandium tris(trifluoromethanesulfonate); In 2,2,2-trifluoroethanol; at 0 - 20 ℃; for 3h; Inert atmosphere;
DOI:10.1021/jacs.9b13599

Reference yield: 80.0%

: C₁₁H₁₃N₃O

: 86499-66-3
8-methyl-1,3,4,5-tetrahydro-benz[b]azepin-2-one

Guidance literature:: With bis{rhodium[3,3'-(1,3-phenylene)bis(2,2-dimethylpropanoic acid)]}; In toluene; at 120 ℃; for 16h; Schlenk technique; Inert atmosphere; Sealed tube;
DOI:10.1021/jacs.7b01833

Reference yield:

: 1536478-77-9
N-(2-bromo-5-methylphenyl)formamide

: 86499-66-3
8-methyl-1,3,4,5-tetrahydro-benz[b]azepin-2-one

Guidance literature:: Multi-step reaction with 4 steps

1.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / 20 °C / Inert atmosphere

1.2: 0.5 h / -78 °C / Inert atmosphere

1.3: 2 h / -78 °C / Inert atmosphere

2.1: potassium hydroxide / 1,4-dioxane; water / Inert atmosphere; Reflux

3.1: tert.-butylnitrite; trimethylsilylazide / acetonitrile / 1.5 h / 0 - 20 °C / Inert atmosphere

4.1: bis{rhodium[3,3'-(1,3-phenylene)bis(2,2-dimethylpropanoic acid)]} / toluene / 16 h / 120 °C / Schlenk technique; Inert atmosphere; Sealed tube

With tert.-butylnitrite; bis{rhodium[3,3'-(1,3-phenylene)bis(2,2-dimethylpropanoic acid)]}; trimethylsilylazide; sodium hydride; potassium hydroxide; In tetrahydrofuran; 1,4-dioxane; water; toluene; acetonitrile; mineral oil;
DOI:10.1021/jacs.7b01833