141123-11-7

Basic information

• Product Name: 2-(4-CHLORO-3-METHYLBENZOYL)BENZOIC ACID
• Synonyms: CHEMBRDG-BB 5633946;2-(4-CHLORO-3-METHYLBENZOYL)BENZOIC ACID
• CAS NO: 141123-11-7
• Molecular Formula: C₁₅H₁₁ClO₃
• Molecular Weight: 274.7
• Mol File: 141123-11-7.mol

Chemical Properties

• Boiling Point: 485.1°C at 760 mmHg
• Flash Point: 247.2°C
• Appearance: /
• Density: 1.318g/cm³
• Vapor Pressure: 3.18E-10mmHg at 25°C
• Refractive Index: 1.614
• CAS DataBase Reference: 2-(4-CHLORO-3-METHYLBENZOYL)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-CHLORO-3-METHYLBENZOYL)BENZOIC ACID(141123-11-7)
• EPA Substance Registry System: 2-(4-CHLORO-3-METHYLBENZOYL)BENZOIC ACID(141123-11-7)

Safety Data

• Hazardous Substances Data: 141123-11-7(Hazardous Substances Data)

Usage

Benzoylbenzoic acid family

Member This compound belongs to a group of chemical compounds that share a similar structure and properties.

Physical appearance

White to off-white crystalline powder The compound's solid form, which is characterized by its color and crystalline structure.

Primary use

Sunscreen agent One of the main applications of this compound is as an active ingredient in sunscreens to protect the skin from harmful UV radiation.

Secondary use

Intermediate in organic synthesis The compound is also used as a starting material or intermediate in the synthesis of other organic compounds, such as pharmaceuticals.

Versatile reactivity

Commonly used in the manufacture of pharmaceuticals and other organic compounds Due to its ability to react with various other chemicals, this compound is valuable in the production of a wide range of products.

UV-absorbing properties

Ingredient in sunscreens and cosmetic products The compound's ability to absorb ultraviolet radiation makes it a useful component in sunscreens and other cosmetic products designed to protect the skin from sun damage.

InChI:InChI=1/C15H11ClO3/c1-9-8-10(6-7-13(9)16)14(17)11-4-2-3-5-12(11)15(18)19/h2-8H,1H3,(H,18,19)

Upstream product

• 85-44-9 phthalic anhydride 
• 95-49-8 2-methylchlorobenzene 
• 609-65-4 o-chlorobenzoyl chloride 
• 7154-66-7 2-bromobenzoic acid chloride 
• 54932-72-8 2-chloro-5-bromotoluene 
• 951891-12-6 2-bromo-4'-chloro-3'-methyl-benzophenone 
• 74617-45-1 2,4'-dichloro-3'-methyl-benzophenone 
• 7446-70-0 aluminium trichloride 

Downstream Products

• 85588-36-9 (4-chloro-3-methylphenyl)(phenyl)methanone 
• 141123-12-8 4-(4'-chloro-3'-methylphenyl)-1-(2H)-phthalazinone 
• 141123-18-4 4-(4-chloro-3-methyl-phenyl)-2H-phthalazine-1-thione 
• 141123-37-7 1-chloro-4-(4-chloro-3-methyl-phenyl)-phthalazine 
• 141123-38-8 [4-(4-chloro-3-methyl-phenyl)-phthalazin-1-yl]-hydrazine 
• 141123-21-9 carbonic acid 4-(4-chloro-3-methyl-phenyl)-phthalazin-1-yl ester ethyl ester 
• 141123-20-8 [4-(4-chloro-3-methyl-phenyl)-phthalazin-1-yloxy]-acetic acid ethyl ester 

Relevant articles and documents

Continued optimization of the M5NAM ML375: Discovery of VU6008667, an M5NAM with high CNS penetration and a desired short half-life in rat for addiction studies

This letter describes the continued optimization of M5NAM ML375 (VU0483253). While a valuable in vivo tool compound, ML375?has an excessively long elimination half-life in rat (t1/2?=?80?h), which can be problematic in certain rodent addiction paradigms (e.g., reinstatement). Thus, we required an M5NAM of comparable potency to ML375, but with a rat t1/2of less than 4?h. Steep SAR plagued this chemotype, and here we detail aniline replacements that offered some improvements over ML375, but failed to advance. Ultimately, incorporation of a single methyl group to the 9b-phenyl ring acted as a metabolic shunt, providing (S)-11 (VU6008667), an equipotent M5NAM, with high CNS penetration, excellent selectivity versus M1–4and the desired short half-life (t1/2?=?2.3?h) in rat.

Synthesis and blood glucose lowering activity of some novel benzenesulfonylthiourea derivatives substituted with 4-aryl-1-oxophthalazin- 2(1H)yl-ones

Some new benzenesulfonylthiourea derivatives substituted with phthalazones (2a-q) were synthesized by refluxing the appropriate 4-aryl-1-oxophthalazin- 2(1H)yl benzenesulfonamides with isothiocyanate in dry acetone over anhydrous K2CO3. All the synthesized compounds were characterized on the basis of IR, 1H NMR, MS data and elemental analysis. These synthesized compounds (2a-q) at the dose of 20 mg/kg were tested for antihyperglycemic activity in the glucose-fed hyperglycemic normal rat model and among these compounds 2f and 2m showed modest antihyperglycemic activity.

STUDIES IN THE FIELD OF HETEROCYCLIC COMPOUNDS. SYNTHESIS AND BEHAVIOUR OF 4-(4-CHLORO-3-METHYL)PHENYL-1-(2H)-PHTHALAZINONE TOWARDS SOME ELECTROPHILES AND NUCLEOPHILES

The phthalazinone derivatives 2a-f have been obtained via the interaction of o-(4-chloro-3-methyl)benzoyl benzoic acid with hydrazine derivatives. The behaviour of 2a towards carbon electrophiles and carbon nucleophiles has been investigated. The chlorophthalazine derivative 3S has been also synthesised from the action of PCl5/POCl3 on 2a. The behaviour of 3S towards nitrogen, and oxygen nucleophiles have been also described.