3,4-dimethoxy-N-((2,2-dimethyl-2H-chromen-6-yl)methyl)-N-phenylbenzenesulfonamide

Base Information

Chemical Name:3,4-dimethoxy-N-((2,2-dimethyl-2H-chromen-6-yl)methyl)-N-phenylbenzenesulfonamide
CAS No.:927823-01-6
Molecular Formula:C26H27NO5S
Molecular Weight:465.57
Hs Code.:
UNII:MUA7QA3W73
ChEMBL ID:CHEMBL1823895

Synonyms:3,4-dimethoxy-N-((2,2-dimethyl-2H-chromen-6-yl)methyl)-N-phenylbenzenesulfonamide;KCN1 compound

Suppliers and Price of 3,4-dimethoxy-N-((2,2-dimethyl-2H-chromen-6-yl)methyl)-N-phenylbenzenesulfonamide

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

Total 4 raw suppliers

Chemical Property of 3,4-dimethoxy-N-((2,2-dimethyl-2H-chromen-6-yl)methyl)-N-phenylbenzenesulfonamide

Chemical Property:

XLogP3:5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:465.16099414
Heavy Atom Count:33
Complexity:770

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C=CC2=C(O1)C=CC(=C2)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC)C

Technology Process of 3,4-dimethoxy-N-((2,2-dimethyl-2H-chromen-6-yl)methyl)-N-phenylbenzenesulfonamide

There total 2 articles about 3,4-dimethoxy-N-((2,2-dimethyl-2H-chromen-6-yl)methyl)-N-phenylbenzenesulfonamide 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: 31.0%

: 1342891-34-2
N-[(2,2-dimethyl-2H-chromen-6-yl)methyl]aniline

: 23095-31-0
3,4-dimethoxybenzene-1-sulfonyl chloride

: 927823-01-6
3,4-dimethoxy-N-[(2,2-dimethyl-2H-chromen-6-yl)methyl]-N-phenylbenzenesulfonamide

Guidance literature:: With triethylamine; In dichloromethane; Reflux; Inert atmosphere;
DOI:10.1016/j.bmc.2012.04.064

Reference yield:

: 123-08-0,65581-83-1
4-hydroxy-benzaldehyde

: 927823-01-6
3,4-dimethoxy-N-[(2,2-dimethyl-2H-chromen-6-yl)methyl]-N-phenylbenzenesulfonamide

Guidance literature:: Multi-step reaction with 5 steps

1: sodium hydroxide / water; N,N-dimethyl-formamide / 8 h / 60 °C / Inert atmosphere

2: 1-methyl-pyrrolidin-2-one / 8 h / Reflux; Inert atmosphere

3: toluene-4-sulfonic acid / dichloromethane / Reflux; Inert atmosphere

4: diisobutylaluminium hydride / toluene / Inert atmosphere

5: triethylamine / dichloromethane / Reflux; Inert atmosphere

With 1-methyl-pyrrolidin-2-one; diisobutylaluminium hydride; toluene-4-sulfonic acid; triethylamine; sodium hydroxide; In dichloromethane; water; N,N-dimethyl-formamide; toluene; 2: Claisen cyclization;
DOI:10.1016/j.bmc.2012.04.064

Reference yield: 45.0%

: 927823-01-6
3,4-dimethoxy-N-[(2,2-dimethyl-2H-chromen-6-yl)methyl]-N-phenylbenzenesulfonamide

: N-((2,2-dimethyl-2H-chromen-6-yl)methyl)-4-hydroxy-3-methoxy-N-phenylbenzenesulfonamide

Guidance literature:: With potassium carbonate; thiophenol; In 1-methyl-pyrrolidin-2-one; at 100 ℃; for 0.5h; Inert atmosphere;
DOI:10.1021/ml300042k