875-99-0

Basic information

• Product Name: 3-(METHYLTHIO) BENZOIC ACID
• Synonyms: beta-pericyclocamphanone;3-(METHYLTHIO) BENZOIC ACID 99.0%MIN;3-Methylthio benzoic;3-(methylthio) benzo;4,7,7-Trimethyltricyclo(2.2.1.0(2,6))heptan-3-one
• CAS NO: 875-99-0
• Molecular Formula: C8H8O2S
• Molecular Weight: 168.21
• Product Categories: Organic acids
• Mol File: 875-99-0.mol

Chemical Properties

• Melting Point: 126-130 °C(lit.)
• Boiling Point: 207.5 °C at 760 mmHg
• Flash Point: 72.2 °C
• Appearance: /
• Density: 1.105 g/cm³
• Vapor Pressure: 0.225mmHg at 25°C
• Refractive Index: 1.537
• CAS DataBase Reference: 3-(METHYLTHIO) BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(METHYLTHIO) BENZOIC ACID(875-99-0)
• EPA Substance Registry System: 3-(METHYLTHIO) BENZOIC ACID(875-99-0)

Safety Data

• Hazard Codes: Xi
• WGK Germany: 3
• Hazardous Substances Data: 875-99-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research:
3-(METHYLTHIO) BENZOIC ACID is used as a key intermediate in the synthesis of various pharmaceuticals for its potential biological activities, including anti-inflammatory, anti-bacterial, and anti-fungal properties. Its unique structure allows it to be a promising candidate for the development of new drugs.
Used in Organic Synthesis:
In the field of organic synthesis, 3-(METHYLTHIO) BENZOIC ACID is utilized as a building block for the creation of more complex organic compounds. Its reactivity and functional groups make it suitable for a wide range of chemical reactions, contributing to the synthesis of various organic molecules.
Used in Medicinal Chemistry:
3-(METHYLTHIO) BENZOIC ACID is employed as a compound of interest in medicinal chemistry due to its potential therapeutic applications. Its anti-inflammatory, anti-bacterial, and anti-fungal properties are being studied for the development of new treatments for various diseases and conditions.
Used in Drug Discovery:
3-(METHYLTHIO) BENZOIC ACID is used as a starting material in drug discovery processes. Its unique chemical properties and potential biological activities make it a valuable component in the search for new and effective pharmaceutical agents.

InChI:InChI=1/C10H14O/c1-9(2)7-5-4-10(9,3)8(11)6(5)7/h5-7H,4H2,1-3H3

Upstream product

• 14487-70-8 3-diazocamphor 
• 70016-42-1 (1S)-3.3.4-trimethyl-2,6-cyclo-norbornanone-⁽⁵⁾-hydrazone 
• 70614-31-2 (1R,4S)-3-diazobornan-2-one 
• 563-63-3 silver(I) acetate 
• 62-53-3 aniline 
• 64-19-7 acetic acid 
• 15719-64-9 methylammonium carbonate 
• 14487-70-8 3-diazocamphor 
• 6964-73-4 (1S,3R,4R)-3-Amino-1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-one; hydrochloride 
• 10334-26-6 (R)-camphorquinone 

Downstream Products

• 39546-15-1 Isotricyclen 

Relevant articles and documents

Wolff rearrangement of α-diazoketones using in situ generated silver nanoclusters as electron mediators

We report Wolff rearrangement of α-diazoketones by in situ generated silver nanoclusters (Agn, 2-4 nm) from silver(I) oxide (Ag 2O) involving a nonclassical electron-transfer process. Our results show that Agn+/Agn0 redox couple allows the initial removal of an electron from α-diazoketone and its back-donation after chemical reaction(s). Controlled potential coulometry (CPC) of various α-diazoketones results in the realization of Wolff-rearranged carboxylic acids in excellent yields.

Microwave specific Wolff rearrangement of α-diazoketones and its relevance to the nonthermal and thermal effect

α-Diazoketones possess high electric dipole moments, as a consequence of the dipolar nature of the diazocarbonyl functional group. The vectorial analysis, theoretical calculations (PM3 and ab initio), and literature reports based on experimental and theor

Formation of 1,3-Oxathiole-2-thione and 1,2,4-Trithiolane Derivatives by the Catalytic Reaction of α-Diazocarbonyl Compounds with Carbon Disulfide

The rhodium(II) acetate-catalyzed decompositin of α-diazocarbonyl compounds such as substituted α-diazoacetophenones, cyclic diazoketones, cyclic diazodiketones, and α-diazo-β-ketoesters in carbon disulfide gave 1,3-dioxathiole-2-thione derivatives in goo