Ethyl 2-methyl-2-[(pyridin-2-yl)sulfanyl]propanoate

Base Information

• Chemical Name: Ethyl 2-methyl-2-[(pyridin-2-yl)sulfanyl]propanoate
• CAS No.: 119368-35-3
• Molecular Formula: C11H15NO2S
• Molecular Weight: 225.312
• DSSTox Substance ID: DTXSID10572783
• Wikidata: Q82461266
• Mol file: 119368-35-3.mol

Synonyms:119368-35-3;Ethyl 2-methyl-2-[(pyridin-2-yl)sulfanyl]propanoate;SCHEMBL1465556;DTXSID10572783

Chemical Property of Ethyl 2-methyl-2-[(pyridin-2-yl)sulfanyl]propanoate

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 225.08234989
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)(C)SC1=CC=CC=N1

Technology Process of Ethyl 2-methyl-2-[(pyridin-2-yl)sulfanyl]propanoate

There total 6 articles about Ethyl 2-methyl-2-[(pyridin-2-yl)sulfanyl]propanoate 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: 80.0%

2,2-dimethyl-malonic acid ethyl ester 2-thioxo-2H-pyridin-1-yl ester (197577-79-0) → 2,2'-dipyridyldisulphide (2127-03-9) + 2-(1-thia-2-methyl-2-carbethoxypropyl)pyridine (119368-35-3)

Guidance literature:

In benzene; Irradiation;

Reference yield: 39.0%

ethyl 2-iodo-2-methylpropanoate (7425-55-0) + 1-(1-oxononoxy)-2-(1H)-pyridinethione (111916-74-6) → 2-n-octylsulfanylpyridine (26891-70-3) + 1-Iodooctane (629-27-6) + 2-(1-thia-2-methyl-2-carbethoxypropyl)pyridine (119368-35-3)

Guidance literature:

In benzene; at 50 ℃; for 0.0333333h; Yields of byproduct given; Irradiation;

DOI:10.1021/jo00269a016

Reference yield: 37.0%

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + 2,2-dimethyl-malonic acid ethyl ester 2-thioxo-2H-pyridin-1-yl ester (197577-79-0) → 2,2'-dipyridyldisulphide (2127-03-9) + 2-(1-thia-2-methyl-2-carbethoxypropyl)pyridine (119368-35-3) + 4,4-dimethyl-2-(2'-thiopyridyl)pentanedioic acid 5-ethyl 1-methyl diester

Guidance literature:

In benzene; at 80 ℃; Photolysis;

upstream raw materials:

ethyl 2-iodo-2-methylpropanoate

1-(1-oxononoxy)-2-(1H)-pyridinethione

acrylic acid methyl ester

2,2-dimethyl-malonic acid ethyl ester 2-thioxo-2H-pyridin-1-yl ester

Downstream raw materials:

2-methyl-2-pyridin-2-ylsulfanyl-propionic acid