Benzenesulfonamide, N-3-buten-1-yl-4-methyl-

Base Information

• Chemical Name: Benzenesulfonamide, N-3-buten-1-yl-4-methyl-
• CAS No.: 10285-80-0
• Molecular Formula: C11H15 N O2 S
• Molecular Weight: 225.312
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID20474128
• Nikkaji Number: J1.738.070B
• Wikidata: Q82303933
• Mol file: 10285-80-0.mol

Synonyms:10285-80-0;Benzenesulfonamide, N-3-buten-1-yl-4-methyl-;N-but-3-enyl-4-methylbenzenesulfonamide;Benzenesulfonamide,N-3-buten-1-yl-4-methyl-;N-(3-Buten-1-yl)-4-methylbenzenesulfonamide;SCHEMBL14621509;DTXSID20474128;FT-0743708;N-(But-3-en-1-yl)-4-methylbenzene-1-sulfonamide

Chemical Property of Benzenesulfonamide, N-3-buten-1-yl-4-methyl-

Chemical Property:

• PSA: 54.55000
• LogP: 3.32110
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 225.08234989
• Heavy Atom Count: 15
• Complexity: 284

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCCC=C

Technology Process of Benzenesulfonamide, N-3-buten-1-yl-4-methyl-

There total 18 articles about Benzenesulfonamide, N-3-buten-1-yl-4-methyl- 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: 100.0%

but-3-en-1-amine hydrochloride (17875-18-2) + p-toluenesulfonyl chloride (98-59-9) → N-tosyl-3-butenylamine (10285-80-0)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; Inert atmosphere;

DOI:10.1039/c6ob02548j

Reference yield: 99.0%

3-butene-1-amine (2524-49-4) + p-toluenesulfonyl chloride (98-59-9) → N-tosyl-3-butenylamine (10285-80-0)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.1021/acs.joc.5b02342

Reference yield: 97.0%

N-(but-3-en-1-yl)-N-(tert-butoxycarbonyl)-4-methylbenzenesulfonamide (208335-94-8) → N-tosyl-3-butenylamine (10285-80-0)

Guidance literature:

With trifluoroacetic acid; In chloroform; at 20 ℃; for 0.5h;

DOI:10.3762/bjoc.14.250

upstream raw materials:

2-p-toluenesulfonyl-3,6-dihydro-1,2-thiazine oxide

1-bromo-4-butene

toluene-4-sulfonamide

N-(but-3-en-1-yl)-N-(tert-butoxycarbonyl)-4-methylbenzenesulfonamide

Downstream raw materials:

C₁₈H₁₉NO₃SSe

4-bromo-1-tosylpiperidine