104447-92-9

Basic information

• Product Name: 4-bromomethyl-3-methylbenzoic acid methyl ester
• Synonyms: 4-bromomethyl-3-methylbenzoic acid methyl ester
• CAS NO: 104447-92-9
• Molecular Weight: 243.1
• Mol File: 104447-92-9.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 312.9±30.0 °C(Predicted)
• Density: 1.404±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 4-bromomethyl-3-methylbenzoic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-bromomethyl-3-methylbenzoic acid methyl ester(104447-92-9)
• EPA Substance Registry System: 4-bromomethyl-3-methylbenzoic acid methyl ester(104447-92-9)

Safety Data

• Hazardous Substances Data: 104447-92-9(Hazardous Substances Data)

Upstream product

• 67-56-1 methanol 
• 619-04-5 3,4-dimethylbenzoic acid 
• 148547-19-7 4-Bromo-3-methylbenzoic acid methyl ester 
• 24078-24-8 methyl 4-formyl-3-methylbenzoate 
• 5471-81-8 methyl 4-iodo-3-methylbenzoate 
• 38404-42-1 methyl 3,4-dimethylbenzoate 
• 17100-58-2 4-bromo-2-methylbenzyl alcohol 
• 68837-59-2 4-bromo-2-methylbenzoic acid 
• 24078-25-9 4-hydroxymethyl-3-methylbenzoic acid methyl ester 

Downstream Products

• 459841-21-5 4-(2-nitro-4, 5-dimethylphenoxymethyl)-3-methylbenzoic acid methyl ester 
• 916913-69-4 methyl 4-{[2-{isobutyl[(5-methyl-2-furyl)sulfonyl]amino}-5-(trifluoromethyl)phenoxy]methyl}-3-methylbenzoate 
• 916913-98-9 methyl 4-{[(6-{isobutyl[(5-methyl-2-furyl)sulfonyl]amino}-2,3-dihydro-1H-inden-5-yl)oxy]methyl}-3-methylbenzoate 
• 459841-58-8 3-methyl-4-[6-[N-isobutyl-N-(5-methyl-2-furylsulfonyl)amino]indan-5-yloxymethyl]benzoic acid 
• 916914-02-8 methyl 4-[({6-[isobutyl(1,3-thiazol-2-ylsulfonyl)amino]-2,3-dihydro-1H-inden-5-yl}oxy)methyl]-3-methylbenzoate 
• 916913-89-8 methyl 3-methyl-4-{[(6-{[(5-methyl-2-furyl)sulfonyl]amino}-2,3-dihydro-1H-inden-5-yl)oxy]methyl}benzoate 
• 459841-25-9 3-methyl-4-[2-[N-isobutyl-N-(5-methyl-2-furylsulfonyl)amino]-4,5-5-dimethylphenoxymethyl]benzoic acid methyl ester 
• 459841-26-0 3-methyl-4-[2-[N-isobutyl-N-(5-methyl-2-furylsulfonyl)amino]-4,5-5-dimethylphenoxymethyl]benzoic acid 
• 916914-01-7 methyl 4-({2-[isobutyl(1,3-thiazol-2-ylsulfonyl)amino]-4,5-dimethylphenoxy}methyl)-3-methylbenzoate 
• 916913-93-4 methyl 3-methyl-4-[({6-[(1,3-thiazol-2-ylsulfonyl)amino]-2,3-dihydro-1H-inden-5-yl}oxy)methyl]benzoate 
• 459841-24-8 3-methyl-4-[2-[N-(5-methyl-2-furylsulfonyl)amino]-4,5-5-dimethylphenoxymethyl]benzoic acid methyl ester 
• 916913-92-3 methyl 4-({4,5-dimethyl-2-[(1,3-thiazol-2-ylsulfonyl)amino]phenoxy}methyl)-3-methylbenzoate 
• 916913-84-3 methyl 3-methyl-4-{[(6-amino-2,3-dihydro-1H-inden-5-yl)oxy]methyl}benzoate 
• 459841-23-7 4-(2-amino-4, 5-dimethylphenoxymethyl)-3-methylbenzoic acid methyl ester 

Relevant articles and documents

Mild Benzylic Monobromination of Methyl Toluates in Aqueous CTAB

A strategy has been developed for the regioselective monobromination of methyl toluates by using tert-butylhydrogen peroxide and potassium bromide (TBHP/KBr) in a cetyltrimethylammonium bromide (CTAB) micellar medium. Ultrasonic and microwave-assisted protocols recorded increased rates and product yields under mild reaction conditions, coupled with a straightforward isolation procedure.

A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase to Counter Nonalcoholic Steatohepatitis

Nonalcoholic steatohepatitis arising from Western diet and lifestyle is characterized by accumulation of fat in liver causing inflammation and fibrosis. It evolves as serious health burden with alarming incidence, but there is no satisfying pharmacological therapy to date. Considering the disease's multifactorial nature, modulation of multiple targets might provide superior therapeutic efficacy. In particular, farnesoid X receptor (FXR) activation that revealed antisteatotic and antifibrotic effects in clinical trials combined with inhibition of soluble epoxide hydrolase (sEH) as anti-inflammatory strategy promises synergies. To exploit this dual concept, we developed agents exerting partial FXR agonism and sEH inhibitory activity. Merging known pharmacophores and systematic exploration of the structure-activity relationship on both targets produced dual modulators with low nanomolar potency. Extensive in vitro characterization confirmed high dual efficacy in cellular context combined with low toxicity, and pilot in vivo data revealed favorable pharmacokinetics as well as engagement on both targets in vivo.

Optimization of sulfonamide derivatives as highly selective EP1 receptor antagonists

A series of 4-[(2-{isobutyl[(5-methyl-2-furyl)sulfonyl]amino}phenoxy)methyl]benzoic acids and 4-({2-[isobutyl(1,3-thiazol-2-ylsulfonyl)amino]phenoxy}methyl)benzoic acids were synthesized and evaluated for their EP receptor affinities and EP1 receptor anta