2-Benzoylsulfanylbenzoic acid

Base Information

• Chemical Name: 2-Benzoylsulfanylbenzoic acid
• CAS No.: 39860-52-1
• Molecular Formula: C14H10O3S
• Molecular Weight: 258.298
• NSC Number: 89480
• DSSTox Substance ID: DTXSID20293432
• Wikidata: Q82032156
• Mol file: 39860-52-1.mol

Synonyms:39860-52-1;2-benzoylsulfanylbenzoic acid;NSC89480;NCIOpen2_005507;2-Benzoylsulfanyl-benzoic acid;SCHEMBL4620808;DTXSID20293432;AYYGQBKLLWSKJB-UHFFFAOYSA-N;NSC-89480

Chemical Property of 2-Benzoylsulfanylbenzoic acid

Chemical Property:

• Vapor Pressure: 1.74E-07mmHg at 25°C
• Boiling Point: 410.8°Cat760mmHg
• Flash Point: 202.2°C
• Density: 1.37g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 258.03506535
• Heavy Atom Count: 18
• Complexity: 310

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Benzoylsulfanylbenzoic acid

There total 4 articles about 2-Benzoylsulfanylbenzoic 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: 83.0%

benzoyl chloride (98-88-4) + Thiosalicylic acid (147-93-3) → 2-(benzoylmercapto)benzoic acid (39860-52-1)

Guidance literature:

benzoyl chloride; Thiosalicylic acid; With sodium hydrogencarbonate; sodium carbonate; In water; at 0 - 20 ℃; for 1.25h;

With hydrogenchloride; In water;

Reference yield:

Thiosalicylic acid (147-93-3) → 2-(benzoylmercapto)benzoic acid (39860-52-1)

Guidance literature:

With potassium hydroxide; at 20 ℃; for 0.5h;

DOI:10.1016/S0040-4020(01)00977-2

Reference yield:

Thiosalicylic acid (147-93-3) + benzoic acid anhydride (93-97-0) → 2-(benzoylmercapto)benzoic acid (39860-52-1)

Guidance literature:

With potassium hydroxide; at 0 - 20 ℃; for 0.5h;

DOI:10.1039/c39920001580

upstream raw materials:

benzoyl chloride

Thiosalicylic acid

benzoic acid anhydride

Downstream raw materials:

C₂₀H₂₄O₃SSi

N-benzylbenzamide

methyl ester of 3-(N-benzoyl)aminopropionic acid

thiobenzoic acid S-[2-(2,5-dimethyl-2H-pyrazol-3-ylcarbamoyl)-phenyl]ester

Refernces

• 1、 Anila, Hoskere A.,Sreedharan, Sreejesh,Ali, Firoj,Smythe, Carl G.,Thomas, Jim A.,Das, Amitava. "Polysulfide-triggered fluorescent indicator suitable for super-resolution microscopy and application in imaging". supporting information. p. 3735 - 3738. Retrieved 2018/04/16.
• 2、 -. "Kinase Inhibitors". Page/Page column 5-6. . Retrieved 2010/11/25.