Methyl (2E)-[2-(bromomethyl)phenyl](methoxyimino)acetate

Basic Information

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CAS Number

133409-72-0

Molecular Formula

C11H12BrNO3

Molecular Weight

286.12 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

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

45-48 ºC

SMILES

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CO/N=C(\c1ccccc1CBr)/C(=O)OC

InChI

InChI=1S/C11H12BrNO3/c1-15-11(14)10(13-16-2)9-6-4-3-5-8(9)7-12/h3-6H,7H2,1-2H3/b13-10+

InChIKey

LDPXOYHMGOQPIV-JLHYYAGUSA-N

LogP

2.105

Topological Polar Surface Area

47.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

268

Synonyms & References

English

(E)-Methyl 2-(methoxyimino)-2-[2-(bromomethyl)phenyl]acetate
methyl-(E)-2-(2-bromomethylphenyl)-2-methoxyiminoacetate
(E)-2-bromomethyl-α-methoxyimino phenylacetate
Methyl-2-(2-broMoMethylphenyl)-2-MethoxyiMinoacetate
(E)-Methyl-2-(2-broMoMethylphenyl)-2-MethoxyiMinoacetate
(E)-2-[2-(Bromomethyl)phenyl]-2-(methoxyimino)acetic Acid Methyl Ester
(alphaE)-2-Bromomethyl-alpha-(methoxyimino)phenyl-acetic acid methyl ester
Benzeneacetic acid, 2-(broMoMethyl)-a-(MethoxyiMino)-, Methyl ester, (aE)-
methyl (2E)-2-[2-(bromomethyl)phenyl]-2-methoxyiminoacetate
(E)-Methyl 2-(2-(bromomethyl)phenyl)-2-(methoxyimino)acetate
methyl methoxyimino-(2-bromomethylphenyl)acetate
methyl(2E)-[2-(bromomethyl)phenyl](methoxyimino)acetate
STL214864
methyl (2E)-[2-(bromomethyl)phenyl](methoxyimino)ethanoate
(E)-Met

MDL Number

MFCD16038451

FAQ

What are the physical and chemical properties of Methyl (2E)-[2-(bromomethyl)phenyl](methoxyimino)acetate (CAS: 133409-72-0)?

Methyl (2E)-[2-(bromomethyl)phenyl](methoxyimino)acetate is a colorless to light yellow oil at room temperature. Its molecular weight is approximately 352.1 g/mol. It has limited solubility in water but is soluble in organic solvents like ethanol and acetone. This compound is relatively stable under normal conditions but can react with basic substances to form byproducts. It is mildly reactive towards nucleophiles.

How is Methyl (2E)-[2-(bromomethyl)phenyl](methoxyimino)acetate (CAS: 133409-72-0) typically synthesized?

Methyl (2E)-[2-(bromomethyl)phenyl](methoxyimino)acetate is typically synthesized via a multi-step process involving the bromination of a phenylacetate followed by a Wittig reaction. The key steps include bromination of the phenyl group, followed by reaction with a methoxyimino compound to form the desired ester. Common catalysts and reagents include NBS (N-bromosuccinimide) and methoxyimino compounds. The overall yield is moderate to good, depending on the purity of starting materials and reaction conditions.

What industries use Methyl (2E)-[2-(bromomethyl)phenyl](methoxyimino)acetate (CAS: 133409-72-0)?

Methyl (2E)-[2-(bromomethyl)phenyl](methoxyimino)acetate is primarily used in the pharmaceutical industry for synthesizing certain drug precursors. It also finds applications in the polymer industry for functionalizing polymers. Additionally, it can be used in the production of sensors and as a precursor in semiconductor manufacturing processes for specific chemical treatments.

What precautions should be taken when handling Methyl (2E)-[2-(bromomethyl)phenyl](methoxyimino)acetate (CAS: 133409-72-0)?

When handling Methyl (2E)-[2-(bromomethyl)phenyl](methoxyimino)acetate, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The compound should be used in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up using appropriate absorbent materials and a spill kit. The material safety data sheet (MSDS) should be consulted for detailed safety information and emergency procedures. Storage should be at room temperature away from sources of heat and light.