57486-71-2

Usage

Molecular class

Aromatic acetates

Derivative

2-(3,4-dimethylphenyl)acetic acid methyl ester

Usage

Organic synthesis, intermediate in pharmaceuticals and agrochemicals production

Physical property

Strong aroma

Application

Fragrance industry

Therapeutic potential

Inflammation and pain treatment

Industry applications

Wide range due to chemical properties and potential benefits.

Upstream product

• 67-56-1 methanol 
• 3020-06-2 3,4-dimethylphenylacetonitrile 
• 102-46-5 4-(chloromethyl)-1,2-dimethylbenzene 
• 3637-01-2 3,4-dimethylacetophenone 

Downstream Products

• 87776-80-5 2-(3,4-dimethylphenyl)-1-ethanol 
• 503597-07-7 2-(3,4-dimethylphenethyl)-1,3-propanediol 
• 503597-27-1 ethyl 2-amino-4-(3,4-dimethylphenyl)butanoate 
• 503597-09-9 4-(3,4-dimethylphenyl)-2-(hydroxymethyl)butyl pivalate 
• 503597-05-5 diethyl 2-(3,4-dimethylphenethyl)malonate 
• 503598-02-5 2,2-dimethyl-propionic acid 2-aminomethyl-4-(3,4-dimethyl-phenyl)-butyl ester 
• 503597-29-3 tert-butyl N-[3-(3,4-dimethylphenyl)-1-(hydroxymethyl)propyl]carbamate 
• 503597-11-3 2-(azidomethyl)-4-(3,4-dimethylphenyl)butyl pivalate 
• 503597-28-2 ethyl 2-(tert-butoxycarbonylamino)-4-(3,4-dimethylphenyl)butanoate 
• 503597-31-7 2-[(tert-butoxycarbonyl)amino]-4-(3,4-dimethylphenyl)butyl pivalate 
• 503597-26-0 ethyl 4-(3,4-dimethylphenyl)-2-[(diphenylmethylene)amino]butanoate 
• 503597-34-0 N-[4-(3,4-dimethylphenyl)-1-pivaloyloxy-2-butyl]-N'-[3-methoxy-4-(methoxymethoxy)benzyl]thiourea 
• 503597-14-6 N-[4-(3,4-dimethylphenyl)-2-(pivaloyloxymethyl)butyl]-N'-[3-methoxy-4-(methoxymethoxy)benzyl]thiourea 
• 103323-56-4 2-(3',4'-dimethylphenyl)ethyl bromide 

Relevant academic research and scientific papers

PROCESS FOR PRODUCTION OF THIOPHENE COMPOUND AND INTERMEDIATE THEREOF

To provide a novel process for producing a 2-aryl-3-hydroxy-4-substituted carbonyl thiophene compound or an intermediate thereof useful as an intermediate for production of medicines and agricultural chemicals. A 2-aryl acetate compound represented by the formula (1): wherein R1 is an aryl group or the like, R4 is a C1-3 alkyl group or the like, and X is a leaving group, is reacted with a thioacetic acid compound to form a thioacetyl compound (3), the thioacetyl compound (3) is reacted with a vinyl ketone compound to form a γ-ketosulfide compound (5), which is cyclized under basic conditions to form a dihydrothiophene compound (6), and the dihydrothiophene compound (6) is oxidized by using an oxidizing agent to produce a 2-aryl-3-hydroxy-4-substituted carbonyl thiophene compound (7).

Structure-activity relationships of simplified resiniferatoxin analogues with potent VR1 agonism elucidates an active conformation of RTX for VR1 binding

We previously described a series of N-(3-acyloxy-2-benzylpropyl) homovanillate and N′-(4-hydroxy-3-methoxybenzyl) thiourea derivatives that were potent VR1 agonists with high-affinities and excellent analgesic profiles. The design of these simplified RTX analogues was based on our RTX-derived pharmacophore model which incorporates the 4-hydroxy-3- methoxyphenyl (A-region), C20-ester (B-region), orthophenyl (C1-region) and C3-keto (C2-region) groups of RTX. For the purpose of optimizing the spatial arrangement of the four principal pharmacophores on the lead agonists (1-4), we have modified the distances in the parent C-region, 3-acyloxy-2-benzylpropyl groups, by lengthening or shortening one carbon to vary the distances between the pharmacophores. We find that two of the amides, 4 and 19, possess EC50 values i) and calcium influx (EC50) values. The binding affinities of the agonists correlated best with the RMS values derived from RTX conformation E (r2=0.92), predicting a model of the active conformation of RTX and related vanilloids for binding to VR1. Poorer correlation was obtained between any of the conformations and the EC 50 values for calcium influx.

Muscarinic receptor antagonists

Muscarinic receptor antagonists of formula (I), and their pharmaceutically acceptable salts, wherein Y is --CH 2 --, --(CH 2) 2 --, --CH 2 O--, --(CH 2) 2 O-- or --CH 2 S--; R is --CH or --CONH 2 ; and R 1 is a group of formula (a), where R 2 and R 3 are each independently H, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, --(CH 2) n OH, halo, trifluoromethyl, cyano, --(CH 2) n NR 4 R 5, --CO(C 1 -C 4 alkyl), --OCO(C 1 -C 4 alkyl), --CH(OH)(C 1 -C 4 alkyl), --C(OH)(C 1 -C 4 alkyl 2, --SO 2 NH 2, --(CH 2) n CONR 6 R 7 or --(CH 2) n COO(C 1 -C 4 alkyl); R 4 is H or C 1 -C 4 alkyl; R 5 is H, C 1 -C 4 alkyl or C 1 -C 4 alkysulphonyl; R 6 and R 7 are each independently H or C 1 -C 4 alkyl; and n is 0, 1 or 2. The compounds are particularly useful in treating irritable bowel syndrome.