1069114-83-5

Basic information

• Product Name: methyl 2-(2-bromo-4-methylphenyl)acetate
• Synonyms: methyl 2-(2-bromo-4-methylphenyl)acetate
• CAS NO: 1069114-83-5
• Molecular Weight: 243.1
• Mol File: 1069114-83-5.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: methyl 2-(2-bromo-4-methylphenyl)acetate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 2-(2-bromo-4-methylphenyl)acetate(1069114-83-5)
• EPA Substance Registry System: methyl 2-(2-bromo-4-methylphenyl)acetate(1069114-83-5)

Safety Data

• Hazardous Substances Data: 1069114-83-5(Hazardous Substances Data)

Upstream product

• 67-56-1 methanol 
• 31881-86-4 2-(2-bromo-4-methylphenyl)acetic acid 
• 75366-14-2 1-(bromomethyl)-2-bromo-4-methylbenzene 
• 1069114-80-2 (2-bromo-4-methyl-phenyl)-acetonitrile 
• 1566584-93-7 1-(2-bromo-4-methylphenyl)-2-diazoethanone 
• 7697-27-0 2-bromo-4-methylbenzoic acid 

Downstream Products

• 1069115-07-6 dimethyl 2-(2-bromo-4-methylphenyl)malonate 
• 1566584-95-9 methyl 2-(2-ethynyl-4-methylphenyl)acetate 
• 1566584-96-0 tert-butyl 4-(4-((4-((2-(2-methoxy-2-oxoethyl)-5-methylphenyl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylate 
• 1566584-98-2 tert-butyl 4-(4-((4-(2-(2-methoxy-2-oxoethyl)-5-methylphenethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylate 
• 1566585-00-9 2-(2-(2-(2-((4-(1-(tert-butoxycarbonyl)piperidin-4-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)-4-methylphenyl)acetic acid 
• 1566585-02-1 tert-butyl 4-(4-((4-(2-(2-amino-2-oxoethyl)-5-methylphenethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylate 
• 1566584-03-9 2-(4-methyl-2-(2-(2-((4-(piperidine-4-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide 
• 1566584-94-8 methyl 2-(4-methyl-2-((triethylsilyl)ethynyl)phenyl)acetate 

Relevant articles and documents

Chiral Magnesium Bisphosphate-Catalyzed Asymmetric Double C(sp3)-H Bond Functionalization Based on Sequential Hydride Shift/Cyclization Process

Described herein is a chiral magnesium bisphosphate-catalyzed asymmetric double C(sp3)-H bond functionalization triggered by a sequential hydride shift/cyclization process. This reaction consists of stereoselective domino C(sp3)-H bond functionalization: (1) a highly enantio- and diastereoselective C(sp3)-H bond functionalization by chiral magnesium bisphosphate (first [1,5]-hydride shift), and (2) a highly diastereoselective C(sp3)-H bond functionalization by an achiral catalyst (Yb(OTf)3, second [1,5]-hydride shift).

LOXOPROFEN DERIVATIVE AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME

There is provided a novel loxoprofen derivative that has no side effect such as a gastrointestinal disorder and also has excellent anti-inflammatory and analgesic effects and is represented by the following formula (I) or (II): (wherein R1 and

Synthesis of benzocyclobutenes by palladium-catalyzed C-H activation of methyl groups: Method and mechanistic study

An efficient catalytic system has been developed for the synthesis of benzocyclobutenes by C-H activation of methyl groups. The optimal conditions employed a combination of Pd(OAc)2 and PtBu3 as catalyst, K2CO3 as the base, and DMF as solvent. A variety of substituted BCB were obtained under these conditions with yields in the 44-92% range, including molecules that are hardly accessible by other methods. The reaction was found limited to substrates bearing a quaternary benzylic carbon, but benzocyclobutenes bearing a tertiary benzylic carbon could be obtained indirectly from diesters by decarboxylation. Reaction substrates bearing a small substituent para to bromine gave an unexpected regioisomer that likely arose from a 1,4-palladium migration process. The formation of this "abnormal" regioisomer could be suppressed by introducing a larger subsituent para to bromine. DFT(B3PW91) calculations on the reaction of 2-bromo-tert-butylbenzene with Pd(PtBu3) with different bases (acetate, bicarbonate, carbonate) showed the critical influence of the coordination mode of the base to induce both an easy C-H activation and to allow for a pathway for 1,4-palladium migration. Carbonate is shown to be more efficient than the two other bases because it can abstract the proton easily and at the same time maintain κ1-coordination without extensive electronic reorganization.