4-Pentenoic acid, 2-[[(4-methylphenyl)sulfonyl]amino]-, ethyl ester

Base Information

• Chemical Name: 4-Pentenoic acid, 2-[[(4-methylphenyl)sulfonyl]amino]-, ethyl ester
• CAS No.: 120318-54-9
• Molecular Formula: C14H19NO4S
• Molecular Weight: 297.375
• DSSTox Substance ID: DTXSID60452304
• Nikkaji Number: J1.598.575E
• Mol file: 120318-54-9.mol

Synonyms:120318-54-9;4-Pentenoic acid, 2-[[(4-methylphenyl)sulfonyl]amino]-, ethyl ester;DTXSID60452304;2-[(p-Tolylsulfonyl)amino]-4-pentenoic acid ethyl ester

Chemical Property of 4-Pentenoic acid, 2-[[(4-methylphenyl)sulfonyl]amino]-, ethyl ester

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 297.10347926
• Heavy Atom Count: 20
• Complexity: 419

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(CC=C)NS(=O)(=O)C1=CC=C(C=C1)C

Technology Process of 4-Pentenoic acid, 2-[[(4-methylphenyl)sulfonyl]amino]-, ethyl ester

There total 4 articles about 4-Pentenoic acid, 2-[[(4-methylphenyl)sulfonyl]amino]-, ethyl ester 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: 78.0%

ethyl 2-aminopent-4-enoate (68843-72-1,89077-49-6,89105-35-1) + p-toluenesulfonyl chloride (98-59-9) → ethyl 2-[(4-methylphenyl)sulfonyl]aminopent-4-enoate (120318-54-9)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1039/a910217p

Reference yield: 75.0%

C11H15N3O3S + allyl alcohol (107-18-6) → ethyl 2-[(4-methylphenyl)sulfonyl]aminopent-4-enoate (120318-54-9)

Guidance literature:

With C₂₀H₃₆O₈Rh₂⁽⁴⁺⁾; In toluene; at 100 ℃; for 0.5h; Molecular sieve;

DOI:10.1002/anie.201209603

Reference yield: 75.0%

4-ethyloxy-1-(4-methylbenzenesulfonyl)-1,2,3-triazole (1253966-28-7) + allyl alcohol (107-18-6) → ethyl 2-[(4-methylphenyl)sulfonyl]aminopent-4-enoate (120318-54-9)

Guidance literature:

With rhodium(II) pivalate; In toluene; at 100 ℃; for 0.5h; Molecular sieve; Sealed tube; Inert atmosphere;

DOI:10.1002/hlca.201600320

upstream raw materials:

ethyl 2-aminopent-4-enoate

p-toluenesulfonyl chloride

ethyl N-(diphenylmethylene)-2-amino-4-pentenoate

allyl alcohol

Downstream raw materials:

ethyl 2-{[(4-methylphenyl)sulfonyl](prop-2-ynyl)amino}pent-4-enoate

C₁₈H₂₅NO₄S

C₁₉H₂₇NO₄S

C₂₀H₂₉NO₄S