Methyl 4-(bromomethyl)-2-methoxybenzoate

Basic Information

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CAS Number

74733-27-0

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±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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COC1=C(C=CC(=C1)CBr)C(=O)OC

InChI

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

InChIKey

DCXFLSHDURQRML-UHFFFAOYSA-N

LogP

2.3767000000000005

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

196

Synonyms & References

English

AKOS015890904
SCHEMBL2772618
methyl 4-bromomethyl-2methoxybenzoate
METHYL 4-BROMOMETHYL-2-METHOXYBENZOATE
Benzoic acid, 4-(bromomethyl)-2-methoxy-, methyl ester
A25964
CS-W020494
EN300-123146
CL8565
methyl 2-methoxy-4-(bromomethyl)benzoate
4-(bromomethyl)-2-methoxy-benzoic acid methyl ester
AM84984
4-Bromomethyl-2-methoxy-benzoic acid methyl ester
FT-0737952
methyl 4-(bromomethyl)-2-methoxybenzoate
4-(Bromomethyl)-2-methoxybenzoic acid methyl ester
DTXSID80461332
74733-27-0
GS-3862
SY110885
Benzoicacid,4-(bromomethyl)-2-methoxy-,methylester
MFCD11976783
DCXFLSHDURQRML-UHFFFAOYSA-N
4-Carbomethoxy-3-methoxybenzyl bromide
4-(bromomethyl)-2-methoxybenzoic acid methyl ester
4-bromomethyl-2-methoxy benzoic acid methyl ester
4-bromomethyl-2-methoxy-benzoic acid methyl ester
ACMC-209xf3
ACT07411
AGN-PC-0062EA
ANW-47581

MDL Number

MFCD11976783

FAQ

What are the physical and chemical properties of Methyl 4-(bromomethyl)-2-methoxybenzoate (CAS: 74733-27-0)?

Methyl 4-(bromomethyl)-2-methoxybenzoate is a crystalline compound with a molecular weight of approximately 294.02 g/mol. It has poor solubility in water but is moderately soluble in common organic solvents like ethanol and acetone. This compound is known for its reactivity, particularly towards nucleophilic substitution reactions, and it exhibits a yellow to orange color in its crystalline form. It is stable under normal conditions but should be stored away from strong oxidizing agents and reducing agents.

How is Methyl 4-(bromomethyl)-2-methoxybenzoate (CAS: 74733-27-0) typically synthesized?

Methyl 4-(bromomethyl)-2-methoxybenzoate can be synthesized via a bromination reaction of 4-hydroxymethyl-2-methoxybenzoic acid with bromine in the presence of a Lewis acid catalyst such as aluminum bromide. The reaction typically proceeds with good selectivity and high yield under anhydrous conditions. The product is then purified by recrystallization from acetonitrile.

What industries use Methyl 4-(bromomethyl)-2-methoxybenzoate (CAS: 74733-27-0)?

Methyl 4-(bromomethyl)-2-methoxybenzoate is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the polymer industry as a monomer or functionalizing agent. Additionally, it has potential uses in the development of advanced materials and sensors due to its chemical reactivity.

What precautions should be taken when handling Methyl 4-(bromomethyl)-2-methoxybenzoate (CAS: 74733-27-0)?

When handling Methyl 4-(bromomethyl)-2-methoxybenzoate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be performed in a well-ventilated area or a fume hood to minimize exposure to the compound and its vapors. Spills should be cleaned up immediately using appropriate absorbent materials, and the spilled area should be rinsed thoroughly with water. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage recommendations.