2-(4-Methoxyphenyl)sulfanylbenzoic acid

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)sulfanylbenzoic acid
• CAS No.: 19862-91-0
• Molecular Formula: C14H12O3S
• Molecular Weight: 260.313
• DSSTox Substance ID: DTXSID40385000
• Nikkaji Number: J851.801G
• Wikidata: Q82177519
• Mol file: 19862-91-0.mol

Synonyms:2-(4-methoxyphenyl)sulfanylbenzoic acid;19862-91-0;2-(4-methoxyphenylthio)benzoic acid;Benzoic acid, 2-[(4-methoxyphenyl)thio]-;Maybridge3_004378;Oprea1_778187;SCHEMBL315581;DTXSID40385000;ZECGBLVFSQQYIT-UHFFFAOYSA-N;HMS1443G22;AKOS005064521;2-[(4-methoxyphenyl)thio]benzoic acid;2-(4-methoxyphenylsulfanyl)benzoic acid;IDI1_015765;A1-05320

Chemical Property of 2-(4-Methoxyphenyl)sulfanylbenzoic acid

Chemical Property:

• PSA: 71.83000
• LogP: 3.54460
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 260.05071541
• Heavy Atom Count: 18
• Complexity: 274

Purity/Quality:

2-(4-Methoxyphenyl)sulfanylbenzoic acid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)SC2=CC=CC=C2C(=O)O

Technology Process of 2-(4-Methoxyphenyl)sulfanylbenzoic acid

There total 7 articles about 2-(4-Methoxyphenyl)sulfanylbenzoic 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: 99.0%

4-Methoxybenzenethiol (696-63-9) + 2-bromobenzoic-acid (88-65-3) → 2-<(4-methoxyphenyl)thio>benzoic acid (19862-91-0)

Guidance literature:

With copper(I) oxide; copper; potassium carbonate; In 2-ethoxy-ethanol; at 130 ℃; for 4h;

DOI:10.1055/s-2007-990875

Reference yield: 92.0%

1-bromo-4-methoxy-benzene (104-92-7) + Thiosalicylic acid (147-93-3) → 2-<(4-methoxyphenyl)thio>benzoic acid (19862-91-0)

Guidance literature:

With copper(l) iodide; potassium carbonate; In N,N-dimethyl-formamide; at 145 ℃; for 20h;

DOI:10.1021/jacs.0c05069

Reference yield: 88.0%

4-Methoxybenzenethiol (696-63-9) + 2-Iodobenzoic acid (88-67-5) → 2-<(4-methoxyphenyl)thio>benzoic acid (19862-91-0)

Guidance literature:

With potassium hydroxide; copper; In water; for 14h; Heating;

upstream raw materials:

para-iodoanisole

Thiosalicylic acid

4-Methoxybenzenethiol

2-Iodobenzoic acid

Downstream raw materials:

O-Methyl-2-(4-methoxyphenylthio)benzohydroxamic acid

2-(4-Methoxy-phenylsulfanyl)-benzamide

2-(4-methoxy-benzenesulfonyl)benzoic acid

2-(4-methoxyphenyl)sulfanylbenzylalcohol

Refernces

• 1、 Booker-Milburn, Kevin,Elliott, Luke D.,George, Michael W.,Kayal, Surajit. "Rational design of triplet sensitizers for the transfer of excited state photochemistry from UV to visible". supporting information. p. 14947 - 14956. Retrieved 2020/10/13.
• 2、 -. "THIOARYL SUBSTITUTED INHIBITORS OF ZINC PROTEASES AND THEIR USE". Page/Page column 22. . Retrieved 2009/10/01.