Methyl 3-bromo-2,6-dimethoxybenzoate

Basic Information

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CAS Number

65977-12-0

Molecular Formula

C10H11BrO4

Molecular Weight

275.1 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

Boiling Point

340.658 °C at 760 mmHg

Density

1.436±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

159.824 °C

SMILES

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COC1=C(C(=C(C=C1)Br)OC)C(=O)OC

InChI

InChI=1S/C10H11BrO4/c1-13-7-5-4-6(11)9(14-2)8(7)10(12)15-3/h4-5H,1-3H3

InChIKey

IYVSXIFYVRNTDY-UHFFFAOYSA-N

LogP

2.2529000000000003

Topological Polar Surface Area

44.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

222

Synonyms & References

English

MFCD11870184
methyl3-bromo-2,6-dimethoxybenzoate
Benzoicacid,3-bromo-2,6-dimethoxy-,methyl ester
SCHEMBL4599128
methyl 3-bromo-2,6-dimethoxybenzoate
IYVSXIFYVRNTDY-UHFFFAOYSA-N
AKOS017561358
A867555
CS-M1913
BENZOICACID, 3-BROMO-2,6-DIMETHOXY-, METHYL ESTER
65977-12-0
D77434
Methyl 3-bromo-2,6-dimethoxybenzoate
3-BROMO-2,6-DIMETHOXYBENZOIC ACID METHYL ESTER
Benzoicacid, 3-bromo-2,6-dimethoxy-, methyl ester
2,6-Diethoxy-3-bromtetrahydropyran
2H-Pyran, 3-bromo-2,6-diethoxytetrahydro-
3-Brom-2,6-diaethoxy-tetrahydropyran
3-Brom-2,6-diethoxytetrahydropyran
3-Brom-2,6-dimethoxybenzoesaeuremethylester
3-Brom-2,6-dimethoxy-benzoesaeure-methylester
3-bromo-2,6-diethoxy-tetrahydro-pyran
CTK1B2778

MDL Number

MFCD11870184

FAQ

What are the physical and chemical properties of Methyl 3-bromo-2,6-dimethoxybenzoate (CAS: 65977-12-0)?

Methyl 3-bromo-2,6-dimethoxybenzoate is a crystalline compound with a molecular weight of approximately 300.03 g/mol. It is sparingly soluble in water but readily soluble in organic solvents like ethanol and acetone. This compound is reactive towards nucleophiles, particularly under basic conditions. It is used as an intermediate in organic synthesis and as a reagent in various reactions.

How is Methyl 3-bromo-2,6-dimethoxybenzoate (CAS: 65977-12-0) typically synthesized?

Methyl 3-bromo-2,6-dimethoxybenzoate is commonly synthesized by the reaction of 2,6-dimethoxybenzoic acid with methyl bromide in the presence of a base such as sodium hydride. The synthesis involves an electrophilic aromatic substitution and an acyl substitution reaction. The product is isolated by recrystallization from an appropriate solvent.

What industries use Methyl 3-bromo-2,6-dimethoxybenzoate (CAS: 65977-12-0)?

Methyl 3-bromo-2,6-dimethoxybenzoate is primarily used in the pharmaceutical and chemical industries as an intermediate. It is employed in the synthesis of drugs and other organic compounds. Additionally, it finds applications in the production of certain dyes and as a reagent in analytical chemistry.

What precautions should be taken when handling Methyl 3-bromo-2,6-dimethoxybenzoate (CAS: 65977-12-0)?

When handling Methyl 3-bromo-2,6-dimethoxybenzoate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be used in a fume hood to minimize exposure to bromine and other reactive moieties. Spills should be cleaned up promptly, and proper waste disposal procedures should be followed. Always consult the Safety Data Sheet (SDS) for detailed safety information.