2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one

Base Information

• Chemical Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
• CAS No.: 6238-07-9
• Molecular Formula: C₁₁H₁₃NO₄
• Molecular Weight: 223.229
• DSSTox Substance ID: DTXSID30411206
• Wikidata: Q82217759
• Mol file: 6238-07-9.mol

Synonyms:6238-07-9;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one;Oprea1_045982;DTXSID30411206

Chemical Property of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one

Chemical Property:

• Vapor Pressure: 2.41E-18mmHg at 25°C
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 465.0714038
• Heavy Atom Count: 32
• Complexity: 719

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=C(C=CC=C5Cl)F

Technology Process of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one

There total 1 articles about 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-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:

2,7-dimethyl-4,5-dihydro-1H-azepine-3,6-dicarboxylic acid dimethyl ester (3168-79-4) → 2-methyl-6-oxo-4,5,6,8-tetrahydro-1H-furo[3,4-b]azepine-3-carboxylic acid methyl ester (6238-07-9)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane; Heating;

DOI:10.1039/j39660001075

upstream raw materials:

2,7-dimethyl-4,5-dihydro-1H-azepine-3,6-dicarboxylic acid dimethyl ester