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Methyl 2-bromo-4-(trifluoromethyl)benzoate is a chemical compound characterized by the formula C10H6BrF3O2. It is a white solid that is soluble in organic solvents and is widely recognized for its role as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Methyl 2-bromo-4-(trifluoromethyl)benzoate's structure, which includes bromine and trifluoromethyl groups, endows it with unique reactivity and makes it a valuable building block in organic synthesis, especially for the production of fluorine-containing compounds.

1214334-90-3

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1214334-90-3 Usage

Uses

Used in Pharmaceutical Synthesis:
Methyl 2-bromo-4-(trifluoromethyl)benzoate is used as a key intermediate in the synthesis of various pharmaceuticals. Its presence in the molecular structure of these compounds contributes to their therapeutic properties and effectiveness in treating different medical conditions.
Used in Agrochemical Production:
In the agrochemical industry, Methyl 2-bromo-4-(trifluoromethyl)benzoate serves as an essential intermediate for the production of various agrochemicals. Its incorporation into these compounds helps enhance their pesticidal or herbicidal properties, thereby improving agricultural productivity and crop protection.
Used in Organic Synthesis:
Methyl 2-bromo-4-(trifluoromethyl)benzoate is utilized as a building block in organic synthesis, particularly for the production of fluorine-containing compounds. The presence of the bromine and trifluoromethyl groups in its structure makes it a versatile reagent for various chemical reactions, contributing to the synthesis of a wide range of organic compounds.
Safety Considerations:
It is important to handle Methyl 2-bromo-4-(trifluoromethyl)benzoate with care, as it may be harmful if ingested or inhaled. Proper safety measures should be taken during its use to minimize potential health risks.

Check Digit Verification of cas no

The CAS Registry Mumber 1214334-90-3 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,1,4,3,3 and 4 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 1214334-90:
(9*1)+(8*2)+(7*1)+(6*4)+(5*3)+(4*3)+(3*4)+(2*9)+(1*0)=113
113 % 10 = 3
So 1214334-90-3 is a valid CAS Registry Number.

1214334-90-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 2-bromo-4-(trifluoromethyl)benzoate

1.2 Other means of identification

Product number -
Other names methyl 2-bromo-4-(trifluoromethyl)benzoate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1214334-90-3 SDS

1214334-90-3Relevant academic research and scientific papers

CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS

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Paragraph 00431, (2020/07/25)

Compounds, and pharmaceutically acceptable salts thereof, useful as inhibitors of sodium channels are provided. Also provided are pharmaceutical compositions comprising the compounds or pharmaceutically acceptable salts and methods of using the compounds, pharmaceutically acceptable salts, and pharmaceutical compositions in the treatment of various disorders, including pain.

Selenium-catalyzed C(sp3)-H acyloxylation: Application in the expedient synthesis of isobenzofuranones

Kr?tzschmar, Felix,Kassel, Martin,Delony, Daniel,Breder, Alexander

supporting information, p. 7030 - 7034 (2015/05/05)

Oxidative Se-catalyzed C(sp3)-H bond acyloxylation has been used to construct a diverse array of isobenzofuranones from simple ortho-allyl benzoic acid derivatives. The synthetic procedure employs mild reaction conditions and gives high chemoselectivity enabled by an inexpensive organodiselane catalyst. The presented approach offers a new synthetic pathway toward the core structures of phthalide natural products.

Internal Lewis acid assisted benzoic acid catalysis

Auvil, Tyler J.,Mattson, Anita E.

, p. 2173 - 2180 (2012/09/22)

Internal Lewis acid assisted benzoic acid derivatives are introduced as new low-molecular-weight single-hydrogen-bond donor catalysts for the activation of nitroalkenes. Selected 2-borylbenzoic acid derivatives gave good yields of products in the addition of indoles to nitroalkenes. Control experiments suggest that both the internal Lewis acid coordination and the carboxylic acid functionalities are critical to the optimal performance of these catalysts. Georg Thieme Verlag Stuttgart New York.

CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS

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Page/Page column 15, (2011/04/14)

The present invention relates to the use of a compound of formula I wherein R1, R2, R3, R4, X and n are as defined herein or to a pharmaceutically acceptable acid addition salt, to a racemic mixture, or to its corresponding enantiomers and/or optical isomers for the treatment of psychoses, pain, dysfunction in memory and learning, attention deficit, schizophrenia, dementia disorders or Alzheimer's disease.

CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS

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Page/Page column 26, (2011/04/14)

The present invention relates to the use of a compound of general formula (I) wherein R1/R2 are independently from each other hydrogen, lower alkyl, -CH2)o-cycloalkyl for o being 0 or 1, or are benzyl or heterocycloalkyl; or R1 and R2 are together with the N-atom to which they are attached a ring containing -(CH2)3-, -(CH2)4-, -(CH2)5-, -(CH2)2-O-(CH2)2-, -(CH2)2-S-(CH2)2-, -(CH2)2-NR-(CH2)2-, -(CH2)2-C(O)-(CH2)2-, -(CH2)2-CF2-(CH2)2-, -CH2-CHR-(CH2)2, -CHR-(CH2)3, CHR-(CH2)2-CHR-, or is the ring 2,6-diaza-spiro[3.3]heptane-2-carboxylic acid tert-butyl ester and R is hydroxy, halogen, cycloalkyl, or C(O)O-lower alkyl; X is -(CH2)4-, -(CH2)3-, -(CH2)2- or -CH2-; R3 is S-lower alkyl, CF3, OCHF2, lower alkoxy, lower alkyl, phenyl, cycloalkyl or halogen; R4 is CF3, lower alkoxy, lower alkyl, halogen and n is 1 or 2; or to a pharmaceutically acceptable acid addition salt, to a racemic mixture, or to its corresponding enantiomers and/or optical isomers thereof for the manufacture of a medicament for the treatment of psychoses, pain, dysfunction in memory and learning, attention deficit, schizophrenia, dementia disorders or Alzheimer's disease.

TETRAHYDRO-PYRAN DERIVATIVES

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Page/Page column 10, (2011/08/08)

The present invention relates to a compound of formula I wherein R1/R2 are independently from each other hydrogen, (CR2)o-cycloalkyl, optionally substituted by lower alkyl or hydroxy, or are lower alkyl or heterocycloalkyl, and o is 0 or 1; andR may be the same or different and is hydrogen or lower alkyl; orR1 and R2 may form together with the N atom to which they are attached a heterocycloalkyl group, selected from the group consisting of pyrrolidinyl, piperidinyl, 3-aza-bicyclo[3.1.0]hex-3-yl or 2-aza-bicyclo[3.1.0]hex-2-yl, which are optionally substituted by hydroxy;R3 is S-lower alkyl, lower alkyl, lower alkoxy or cycloalkyl;R3′ is hydrogen, lower alkyl substituted by halogen, lower alkyl or lower alkoxyR4 is lower alkyl substituted by halogen, lower alkyl or lower alkoxy;X is —O— or —CH2—;X′ is —O— or —CH2—; with the proviso that one of X or X′ is always —O— and the other is —CH2—; or to a pharmaceutically acceptable acid addition salt, to a racemic mixture, or to its corresponding enantiomer and/or optical isomer thereof. It has been found that the compounds of formula I are good inhibitors of the glycine transporter 1 (GlyT-1) and therefore they may be used for the treatment of schizophrenia.

TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES

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Page/Page column 18-19, (2011/09/14)

The present invention relates to a compound of general formula (I) wherein X is -O- or -CH2-; X' is -O- or -CH2-; with the proviso that one of X or X' is always -O- and the other is -CH2-.It has been found that the compoun

AMIDO-TROPANE DERIVATIVES

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Page/Page column 5, (2012/01/13)

The present invention relates to a compound of formula I wherein R1, R2 and R3 are each independently hydrogen, lower alkyl, lower alkoxy, cycloalkyl, lower alkyl substituted by halogen or S-lower alkyl; or to a pharmaceut

AMIDO-TROPANE DERIVATIVES

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Page/Page column 9-10, (2012/01/13)

The present invention relates to a compound of general formula (I) wherein R1, R2 and R3 are independently from each other hydrogen, lower alkyl, lower alkoxy, cycloalkyl, lower alkyl substituted by halogen or S-lower alky

PIPERIDINE DERIVATIVES

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Page/Page column 28, (2010/08/08)

The present invention relates to a compound of formula I wherein R1, R2, and Ar are as defined herein or to a pharmaceutically acceptable acid addition salt, to a racemic mixture, or to its corresponding enantiomer and/or optical iso

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