1-[(Acetylthio)methyl]-cyclopropaneacetic acid methyl ester

Base Information

• Chemical Name: 1-[(Acetylthio)methyl]-cyclopropaneacetic acid methyl ester
• CAS No.: 142148-14-9
• Molecular Formula: C9H14 O3 S
• Molecular Weight: 202.274
• DSSTox Substance ID: DTXSID00703862
• Wikidata: Q82636131
• Mol file: 142148-14-9.mol

Synonyms:142148-14-9;1-[(Acetylthio)methyl]-cyclopropaneacetic acid methyl ester;methyl 2-[1-(acetylsulfanylmethyl)cyclopropyl]acetate;Methyl 1-(acetylthiomethyl)cyclopropane acetate;1-[(acetylthio)methyl]cyclopropaneacetic acid methyl ester;SCHEMBL625848;DTXSID00703862;LWCGYSJHYCTYEQ-UHFFFAOYSA-N;AKOS015909881;FT-0724928;Methyl 1-(acetylthiomethyl)cyclopropaneacetate;A18200;Methyl 1-(acetylthiomethyl)cyclopropane-acetate;Methyl {1-[(acetylsulfanyl)methyl]cyclopropyl}acetate;1-[(Acetylthio)methyl]-cyclopropaneaceticacidmethylester;(1-Acetylsulfanylmethyl-cyclopropyl)-acetic acid methyl ester;METHYL 2-{1-[(ACETYLSULFANYL)METHYL]CYCLOPROPYL}ACETATE

Chemical Property of 1-[(Acetylthio)methyl]-cyclopropaneacetic acid methyl ester

Chemical Property:

• PSA: 68.67000
• LogP: 1.60940
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 202.06636548
• Heavy Atom Count: 13
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)SCC1(CC1)CC(=O)OC

Technology Process of 1-[(Acetylthio)methyl]-cyclopropaneacetic acid methyl ester

There total 3 articles about 1-[(Acetylthio)methyl]-cyclopropaneacetic acid 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:

3-methyl-3-hydroxy-1-butanethiol (33959-26-1) + methanesulfonyl chloride (124-63-0) → methyl 1-(acetylthiomethyl)cyclopropylacetic acid (142148-14-9)

Guidance literature:

With sodium hydrogencarbonate; triethylamine; In dichloromethane; N,N-dimethyl-formamide;

Reference yield:

1-hydroxymethylcyclopropylacetic acid methyl ester (142148-13-8) + methanesulfonyl chloride (124-63-0) → methyl 1-(acetylthiomethyl)cyclopropylacetic acid (142148-14-9)

Guidance literature:

With sodium hydrogencarbonate; triethylamine; In dichloromethane; N,N-dimethyl-formamide;

Reference yield:

1-hydroxymethylcyclopropylacetic acid methyl ester (142148-13-8) + NaHC03 + methanesulfonyl chloride (124-63-0) + triethylamine (121-44-8) → methyl 1-(acetylthiomethyl)cyclopropylacetic acid (142148-14-9)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

1-hydroxymethylcyclopropylacetic acid methyl ester

methanesulfonyl chloride

triethylamine

3-methyl-3-hydroxy-1-butanethiol

Downstream raw materials:

Montelukast sodium

1-(((1(R)-(3-(2-(7-chloro-2-quinolinil)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropane acetic acid dicyclohexylamine salt

(1-{(R)-1-{3-[(E)-2-(7-chloro-quinolin-2-yl)vinyl]phenyl}-3-[2-(1-methyl-1-trimethylsilanyloxyethyl)phenyl]propylsulfanylmethyl}cyclopropyl)acetic acid methyl ester

1-(((1-(R)-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-((1-tetrahydropyranyloxy)-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropyl acetate