Azepino[4,5-b]indole-5-carboxylic acid, 8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester

Base Information

• Chemical Name: Azepino[4,5-b]indole-5-carboxylic acid, 8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester
• CAS No.: 942148-30-3
• Molecular Formula: C₁₈H₂₁FN₂O₂
• Molecular Weight: 316.375
• Mol file: 942148-30-3.mol

Synonyms:Azepino[4,5-b]indole-5-carboxylic acid, 8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester

Chemical Property of Azepino[4,5-b]indole-5-carboxylic acid, 8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester

Chemical Property:

• Vapor Pressure: 6.12E-10mmHg at 25°C
• Boiling Point: 495°C at 760 mmHg
• Flash Point: 253.2°C
• PSA: 54.12000
• Density: 1.183g/cm³
• LogP: 3.80910

Purity/Quality:

8-FLUORO-1,2,3,6-TETRAHYDRO-1,1-DIMETHYL-AZEPINO[4,5-B]INDOLE-5-CARBOXYLIC ACID-1-METHYLETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Azepino[4,5-b]indole-5-carboxylic acid, 8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester

There total 1 articles about Azepino[4,5-b]indole-5-carboxylic acid, 8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester 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:

iso-propyl 3-bromo-2-oxopropanoate (56417-63-1) + 2-(6-fluoro-1H-indol-3-yl)-2-methylpropan-1-amine hydrochloride → isopropyl 8-fluoro-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate (942148-30-3)

Guidance literature:

isopropyl 3-bromo-2-oxopropanoate; 2-(6-fluoro-1H-indol-3-yl)-2-methylpropan-1-amine hydrochloride; In isopropyl alcohol; acetonitrile; at 80 ℃;

With pyridine; dmap; In isopropyl alcohol; acetonitrile; at 80 ℃;

Reference yield:

4-[2-(morpholin-4-yl)ethoxy]benzoyl chloride + isopropyl 8-fluoro-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate (942148-30-3) → isopropyl 8-fluoro-1,1-dimethyl-3-[4-(2-morpholin-4-ylethoxy)benzoyl]-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate (1207988-15-5)

Guidance literature:

With triethylamine; In acetonitrile;

DOI:10.1021/jm901650u

upstream raw materials:

iso-propyl 3-bromo-2-oxopropanoate

Downstream raw materials:

isopropyl 8-fluoro-1,1-dimethyl-3-[4-(2-morpholin-4-ylethoxy)benzoyl]-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate

Refernces