Methyl 2-(bromomethyl)-3-methoxybenzoate

Basic Information

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CAS Number

71887-28-0

Molecular Formula

C10H11BrO3

Molecular Weight

259.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Density

1.432

SMILES

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COC1=CC=CC(=C1CBr)C(=O)OC

InChI

InChI=1S/C10H11BrO3/c1-13-9-5-3-4-7(8(9)6-11)10(12)14-2/h3-5H,6H2,1-2H3

InChIKey

HYLGKOGJOVGRNN-UHFFFAOYSA-N

LogP

2.3767000000000005

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

196

Synonyms & References

English

HYLGKOGJOVGRNN-UHFFFAOYSA-N
METHYL 2-BROMOMETHYL-3-METHOXY-BENZOATE
DTXSID30501393
FT-0732764
CS-B1102
EN300-299884
AS-41900
2-bromomethyl-3-methoxy-benzoic acid methyl ester
MFCD04114320
methyl 2-(bromomethyl)-3-methoxy-benzoate
(1R,3S,4S)-N-Boc-2-azabicyclo[2.2.1]heptane-3-carboxylicacid
METHYL 2-(BROMOMETHYL)-3-METHOXYBENZOATE
AB18068
AMY30237
Methyl 2-(bromomethyl)3-methoxy-benzoate
71887-28-0
2-BROMOMETHYL-3-METHOXYBENZOIC ACID METHYL ESTER
A837352
AKOS015891417
METHYL 2-BROMOMETHYL-3-METHOXYBENZOATE
SCHEMBL668473
METHYL2-(BROMOMETHYL)-3-METHOXYBENZOATE
Methyl 2-bromomethyl-3-methoxybenzoate
2-Bromomethyl-3-methoxybenzoic acid methyl ester
Methyl 2-(bromomethyl)-3-methoxybenzoate
methyl-3-methoxy-2-bromomethylbenzoate
AK163436
7381AH
2-bromomethyl-3-methoxy-benzoic a

MDL Number

MFCD04114320

Customs Code

2918990090

FAQ

What are the physical and chemical properties of Methyl 2-(bromomethyl)-3-methoxybenzoate (CAS: 71887-28-0)?

Methyl 2-(bromomethyl)-3-methoxybenzoate is a white crystalline solid with a molecular weight of approximately 313.02 g/mol. It has poor water solubility but is soluble in organic solvents such as methanol and ethanol. This compound is relatively stable but can react with nucleophiles at the bromomethyl group. It is used in various synthesis routes and is known for its reactivity in organic transformations.

How is Methyl 2-(bromomethyl)-3-methoxybenzoate (CAS: 71887-28-0) typically synthesized?

Methyl 2-(bromomethyl)-3-methoxybenzoate can be synthesized through the bromination of 3-methoxybenzyl alcohol followed by esterification with methyl alcohol. The reaction typically involves using N-bromosuccinimide (NBS) as the brominating agent, with benzoyl peroxide as a co-initiator, and is carried out under UV light or heat. The yield of the reaction is generally high, and the product is purified by recrystallization.

What industries use Methyl 2-(bromomethyl)-3-methoxybenzoate (CAS: 71887-28-0)?

Methyl 2-(bromomethyl)-3-methoxybenzoate is used in the pharmaceutical industry for the synthesis of various compounds and intermediates. It is also utilized in the polymer industry for the modification of polymers and in the sensor industry for the development of gas sensing materials. Additionally, it can be used in the semiconductor industry as a precursor in the fabrication of electronic materials.

What precautions should be taken when handling Methyl 2-(bromomethyl)-3-methoxybenzoate (CAS: 71887-28-0)?

When handling Methyl 2-(bromomethyl)-3-methoxybenzoate, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or a fume hood to minimize exposure to bromine vapor. Spills should be cleaned up using appropriate absorbent materials, and the area should be ventilated. In case of accidental ingestion, seek medical assistance immediately. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.