12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)-9-methyl-

Base Information

• Chemical Name: 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)-9-methyl-
• CAS No.: 37683-60-6
• Molecular Formula: C22H26N2O
• Molecular Weight: 334.4546
• DSSTox Substance ID: DTXSID20191121
• Nikkaji Number: J67.946A
• Wikidata: Q83063612
• Mol file: 37683-60-6.mol

Synonyms:37683-60-6;12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)-9-methyl-;12-(3-Dimethylaminopropyl)-9-methyl-12H-6,7-dihydrobenz(2',3')oxepino(4,5-b)indole;6,7-Dihydro-12-(3-dimethylaminopropyl)-9-methyl-12H-(1)benzoxepino(5,4-b)indole;C22H23N2O;DTXSID20191121;C22-H23-N2-O;LS-42478;12H-[1]Benzoxepino[5,4-b]indole-12-propanamine, 6,7-dihydro-N,N,9-trimethyl-;6,7-Dihydro-9-methyl-N,N-dimethyl-12H-[1]benzoxepino[5,4-b]indole-12-propan-1-amine

Chemical Property of 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)-9-methyl-

Chemical Property:

• Vapor Pressure: 4.64E-11mmHg at 25°C
• Boiling Point: 523.6°Cat760mmHg
• Flash Point: 270.5°C
• PSA: 17.40000
• Density: 1.12g/cm³
• LogP: 4.50330
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 334.204513457
• Heavy Atom Count: 25
• Complexity: 440

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N(C3=C2CCOC4=CC=CC=C43)CCCN(C)C

Technology Process of 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)-9-methyl-

There total 1 articles about 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)-9-methyl- 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:

9-methyl-7,12-dihydro-6H-benzo[2,3]oxepino[4,5-b]indole (33177-03-6) + 3-(Dimethylamino)propyl chloride (109-54-6) → dimethyl-[3-(9-methyl-6,7-dihydro-benzo[2,3]oxepino[4,5-b]indol-12-yl)-propyl]-amine (37683-60-6)

Guidance literature:

Multistep reaction; (i) NaOH, DMF, (ii) /BRN= 605294/;

DOI:10.1007/BF00772357

upstream raw materials:

9-methyl-7,12-dihydro-6H-benzo[2,3]oxepino[4,5-b]indole

3-(Dimethylamino)propyl chloride