N-(4((6-(((Cyclopentyloxy)carbonyl)amino)benzimidazol-1-yl)methyl)-3-methoxybenzoyl)benzenesulfonamide

Base Information

Chemical Name:N-(4((6-(((Cyclopentyloxy)carbonyl)amino)benzimidazol-1-yl)methyl)-3-methoxybenzoyl)benzenesulfonamide
CAS No.:107786-78-7
Molecular Formula:C₂₈H₂₈N₄O₆S
Molecular Weight:548.62
Hs Code.:
DSSTox Substance ID:DTXSID30148242
Nikkaji Number:J341.951G
Wikidata:Q83013733
ChEMBL ID:CHEMBL90933
Mol file:107786-78-7.mol

Synonyms:4-CPCAB;N-(4((6-(((cyclopentyloxy)carbonyl)amino)benzimidazol-1-yl)methyl)-3-methoxybenzoyl)benzenesulfonamide

Suppliers and Price of N-(4((6-(((Cyclopentyloxy)carbonyl)amino)benzimidazol-1-yl)methyl)-3-methoxybenzoyl)benzenesulfonamide

Supply Marketing:

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

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Chemical Property of N-(4((6-(((Cyclopentyloxy)carbonyl)amino)benzimidazol-1-yl)methyl)-3-methoxybenzoyl)benzenesulfonamide

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：143.98000
Density:1.39g/cm³
LogP:6.37220
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:548.17295580
Heavy Atom Count:39
Complexity:946

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC=C2)CN3C=NC4=C3C=C(C=C4)NC(=O)OC5CCCC5

Technology Process of N-(4((6-(((Cyclopentyloxy)carbonyl)amino)benzimidazol-1-yl)methyl)-3-methoxybenzoyl)benzenesulfonamide

There total 8 articles about N-(4((6-(((Cyclopentyloxy)carbonyl)amino)benzimidazol-1-yl)methyl)-3-methoxybenzoyl)benzenesulfonamide 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: 61.0%

: 107786-77-6
N-[4-[6-(2-cyclopentylacetamido)benzimidazol-1-ylmethyl]-3-methoxybenzoyl]-benzenesulphonamide

: 107786-78-7
N-<4-<<6-<<(cyclopentyloxy)carbonyl>amino>benzimidazol-1-yl>methyl>-3-methoxybenzoyl>benzenesulfonamide

Guidance literature:

Reference yield: 7.4%

: 98-10-2
benzenesulfonamide

: 107754-56-3
4-<<6-<<(cyclopentyloxy)carbonyl>amino>benzimidazol-1-yl>methyl>-3-methoxybenzoic acid

: 107786-78-7
N-<4-<<6-<<(cyclopentyloxy)carbonyl>amino>benzimidazol-1-yl>methyl>-3-methoxybenzoyl>benzenesulfonamide

Guidance literature:: With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; for 48h;
DOI:10.1021/jm00171a043

Reference yield:

: 50715-28-1
cyclopentyl chloroformate

: 107786-78-7
N-<4-<<6-<<(cyclopentyloxy)carbonyl>amino>benzimidazol-1-yl>methyl>-3-methoxybenzoyl>benzenesulfonamide

Guidance literature:: Multi-step reaction with 3 steps

1: 93 percent / 2,6-lutidine / CH₂Cl₂ / 24 h

2: 78 percent / aq. LiOH / tetrahydrofuran; methanol / 4 h

3: 7.4 percent / 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride, 4-(dimethylamino)pyridine / CH₂Cl₂ / 48 h

With 2,6-dimethylpyridine; dmap; lithium hydroxide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1021/jm00171a043