Butyric acid, 3-(phenylthio)-, methyl ester

Base Information

• Chemical Name: Butyric acid, 3-(phenylthio)-, methyl ester
• CAS No.: 29943-38-2
• Molecular Formula: C11H14O2S
• Molecular Weight: 210.297
• Nikkaji Number: J699.791K
• Mol file: 29943-38-2.mol

Synonyms:29943-38-2;Butyric acid, 3-(phenylthio)-, methyl ester;SCHEMBL11637955;HGIOPWJVKFOFPO-UHFFFAOYSA-N;3-(Phenylthio)butyric acid methyl ester;beta-(phenylthio)butyric acid methyl ester

Chemical Property of Butyric acid, 3-(phenylthio)-, methyl ester

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 210.07145086
• Heavy Atom Count: 14
• Complexity: 176

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CC(=O)OC)SC1=CC=CC=C1

Technology Process of Butyric acid, 3-(phenylthio)-, methyl ester

There total 7 articles about Butyric acid, 3-(phenylthio)-, methyl 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: 93.0%

crotonic acid methyl ester (623-43-8) + thiophenol (108-98-5) → 2-methoxycarbonyl-1-methylethyl phenyl sulfide (29943-38-2)

Guidance literature:

With C₄₇H₅₇N₄O₄PS; In diethyl ether; at 0 ℃; enantioselective reaction;

DOI:10.1039/c6sc02878k

Reference yield: 90.0%

methyl crotonate (623-43-8,4358-59-2,18707-60-3,130981-57-6) + S-phenyl thioacetate (934-87-2) → 2-methoxycarbonyl-1-methylethyl phenyl sulfide (29943-38-2)

Guidance literature:

With borohydride exchange resin-Pd; triethylamine hydrochloride; In methanol; for 6h; Heating;

DOI:10.1080/00397919608003578

Reference yield:

methyl crotonate (623-43-8,4358-59-2,18707-60-3,130981-57-6) + thiophenol (108-98-5) → 2-methoxycarbonyl-1-methylethyl phenyl sulfide (29943-38-2)

Guidance literature:

With trimethyl(benzyl)ammonium fluoride; In acetone;

DOI:10.1055/s-1976-24133

upstream raw materials:

crotonic acid methyl ester

thiophenol

methyl crotonate

1-chloro-3-phenylthio-2-butanone

Downstream raw materials:

3-methyl-4-pentyl-γ-butyrolactone

2-hydroxycarbonyl-1-methylethyl phenyl sulfide

2-(α-hydroxy-benzyl)-but-3-enoic acid methyl ester

Refernces

• 1、 Hussain, Sahid,Bharadwaj, Saitanya K.,Chaudhuri, Mihir K.,Kalita, Harjyoti. "Borax as an efficient metal-free catalyst for hetero-Michael reactions in an aqueous medium". . p. 374 - 378. Retrieved 2007/10/03.
• 2、 Ono, Masashi,Nishimura, Katsumi,Nagaoka, Yasuo,Tomioka, Kiyoshi. "The conjugate addition-aldol tandem reaction of α,β-unsaturated esters catalyzed by lithium benzenethiolate". . p. 1509 - 1512. Retrieved 2007/10/03.