2-[(3-Ethoxy-3-oxopropyl)sulfanyl]benzoic acid

Base Information

Chemical Name:2-[(3-Ethoxy-3-oxopropyl)sulfanyl]benzoic acid
CAS No.:137446-83-4
Molecular Formula:C12H14O4S
Molecular Weight:254.307
Hs Code.:
ChEMBL ID:CHEMBL4455422
DSSTox Substance ID:DTXSID70567736
Wikidata:Q82453738
Mol file:137446-83-4.mol

Synonyms:137446-83-4;2-[(3-Ethoxy-3-oxopropyl)sulfanyl]benzoic acid;CHEMBL4455422;DTXSID70567736

Suppliers and Price of 2-[(3-Ethoxy-3-oxopropyl)sulfanyl]benzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-[(3-Ethoxy-3-oxopropyl)sulfanyl]benzoic acid

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:254.06128010
Heavy Atom Count:17
Complexity:267

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CCSC1=CC=CC=C1C(=O)O

Technology Process of 2-[(3-Ethoxy-3-oxopropyl)sulfanyl]benzoic acid

There total 1 articles about 2-[(3-Ethoxy-3-oxopropyl)sulfanyl]benzoic acid 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%

: 539-74-2
Ethyl 3-bromopropionate

: 147-93-3
Thiosalicylic acid

: 137446-83-4
2-((3-ethoxy-3-oxopropyl)thio)benzoic acid

Guidance literature:: With diguanidine carbonate; In acetone; for 8h; Reflux;
DOI:10.1039/c9md00298g

Reference yield: 68.5%

: 137446-83-4
2-((3-ethoxy-3-oxopropyl)thio)benzoic acid

: 62-53-3
aniline

: 863194-09-6
ethyl 3-(2-(phenylcarbamoyl)phenylthio)propanoate

Guidance literature:: With dmap; dicyclohexyl-carbodiimide; In tetrahydrofuran; at 25 ℃; for 12h;
DOI:10.1021/ja052599e

Reference yield:

: 137446-83-4
2-((3-ethoxy-3-oxopropyl)thio)benzoic acid

: 863194-18-7
ethyl 3-(2-(phenylcarbamoyl)phenylsulfinyl)propanoate

Guidance literature:: Multi-step reaction with 2 steps

1: 68.5 percent / DCC; DMAP / tetrahydrofuran / 12 h / 25 °C

2: 96 percent / dimethyl dioxirane / acetone / 0.08 h / 0 °C

With dmap; 3,3-dimethyldioxirane; dicyclohexyl-carbodiimide; In tetrahydrofuran; acetone;
DOI:10.1021/ja052599e