Ethyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate

Base Information

Chemical Name:Ethyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
CAS No.:629662-23-3
Molecular Formula:C24H22F2N2O3
Molecular Weight:424.4399
Hs Code.:
DSSTox Substance ID:DTXSID10434397
Nikkaji Number:J3.174.932H
Pharos Ligand ID:TVXWWR13LPCM
ChEMBL ID:CHEMBL510862
Mol file:629662-23-3.mol

Synonyms:629662-23-3;ethyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate;ethyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;Azepino[4,5-b]indole-5-carboxylic acid, 3-(3,4-difluorobenzoyl)-1,2,3,6-tetrahydro-1,1-dimethyl-, ethyl ester;Azepino[4,5-b]indole, 6i;SCHEMBL273529;CHEMBL510862;BDBM28538;AMY9036;DTXSID10434397;NVFAURZVYMEWBH-UHFFFAOYSA-N;AKOS005146462;EX-8551;FT-0739249;A15717;3-(3,4-Difluoro-benzoyl)-1,1-diMethyl-1,2,3,6-tetrahydro-azepino[4,5-b]indole-5-carboxylic acid ethyl ester;3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester;8-(3,4-Difluorobenzoyl)-5,8,9,10-tetrahydro-10,10-dimethyl-8-azacyclohepta[b]indole-6-carboxylic acid ethyl ester;ethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate;ethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1H,2H,3H,6H-azepino[4,5-b]indole-5-carboxylate

Suppliers and Price of Ethyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate

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

American Custom Chemicals Corporation
AZEPINO[4,5-B]INDOLE-5-CARBOXYLIC ACID, 3-(3,4-DIFLUOROBENZOYL)-1,2,3,6-TETRAHYDRO-1,1-DIMETHYL-, ETHYL ESTER 95.00%
5MG
$ 502.88

Total 3 raw suppliers

Chemical Property of Ethyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:615.182°C at 760 mmHg
Flash Point:325.851°C
PSA：62.40000
Density:1.299g/cm³
LogP:4.72160
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:424.15984889
Heavy Atom Count:31
Complexity:740

Purity/Quality:

97% ^*data from raw suppliers

AZEPINO[4,5-B]INDOLE-5-CARBOXYLIC ACID, 3-(3,4-DIFLUOROBENZOYL)-1,2,3,6-TETRAHYDRO-1,1-DIMETHYL-, ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)C4=CC(=C(C=C4)F)F

Technology Process of Ethyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate

There total 2 articles about Ethyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate 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: