Benzenesulfonamide, 4-methyl-N-3,4-pentadienyl-

Base Information

• Chemical Name: Benzenesulfonamide, 4-methyl-N-3,4-pentadienyl-
• CAS No.: 211814-64-1
• Molecular Formula: C12H15NO2S
• Molecular Weight: 237.323
• DSSTox Substance ID: DTXSID50452217
• Nikkaji Number: J1.068.631H
• Mol file: 211814-64-1.mol

Synonyms:211814-64-1;Benzenesulfonamide, 4-methyl-N-3,4-pentadienyl-;DTXSID50452217;N-(3,4-Pentadienyl)-p-toluenesulfonamide

Chemical Property of Benzenesulfonamide, 4-methyl-N-3,4-pentadienyl-

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 237.08234989
• Heavy Atom Count: 16
• Complexity: 342

Purity/Quality:

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=C

Technology Process of Benzenesulfonamide, 4-methyl-N-3,4-pentadienyl-

There total 10 articles about Benzenesulfonamide, 4-methyl-N-3,4-pentadienyl- 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: 69.0%

(Z)-2-bromo-5-[N-(4-methylphenylsulfonyl)amino]pent-2-en-1-yl methylsulfonate (293299-45-3) → 5-[N-(4-methylphenylsulfonyl)amino]penta-1,2-diene (211814-64-1)

Guidance literature:

With diethylzinc; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1016/S0040-4039(00)00790-5

Reference yield: 66.0%

(E)-2-bromo-5-[N-(4-methylphenylsulfonyl)amino]-pent-2-en-1-yl methylsulfonate (293299-52-2) → 5-[N-(4-methylphenylsulfonyl)amino]penta-1,2-diene (211814-64-1)

Guidance literature:

With diethylzinc; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1016/S0040-4039(00)00790-5

Reference yield:

5-aminopenta-1,2-diene (5558-11-2) + p-toluenesulfonyl chloride (98-59-9) → 5-[N-(4-methylphenylsulfonyl)amino]penta-1,2-diene (211814-64-1)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/jo0342469

upstream raw materials:

(E)-2-bromo-5-[N-(4-methylphenylsulfonyl)amino]-pent-2-en-1-yl methylsulfonate

(Z)-2-bromo-5-[N-(4-methylphenylsulfonyl)amino]pent-2-en-1-yl methylsulfonate

5-aminopenta-1,2-diene

p-toluenesulfonyl chloride

Downstream raw materials:

(E)-4-methyl-N-(penta-2,4-dien-1-yl)benzenesulfonamide

1-tosyl-1,2,5,6-tetrahydropyridine

3-methyl-1-(4-methylphenyl)sulfonyl-5,6-dihydropyridin-2(1H)-one

2-[N-(penta-3,4-dienyl)-N-tosylamino]ethanol