Methyl 4-amino-3-(benzyloxy)-5-bromobenzoate

Basic Information

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CAS Number

881909-58-6

Molecular Formula

C15H14BrNO3

Molecular Weight

336.19 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

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

84-86°

SMILES

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COC(=O)C1=CC(=C(C(=C1)Br)N)OCC2=CC=CC=C2

InChI

InChI=1S/C15H14BrNO3/c1-19-15(18)11-7-12(16)14(17)13(8-11)20-9-10-5-3-2-4-6-10/h2-8H,9,17H2,1H3

InChIKey

JUCFKDDNGJOJPC-UHFFFAOYSA-N

LogP

3.3969000000000014

Topological Polar Surface Area

61.55 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

320

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

HD-0055
Methyl4-amino-3-(benzyloxy)-5-bromobenzoate
Methyl 4-amino-3-(benzyloxy)-5-bromobenzoate
methyl 4-amino-3-bromo-5-phenylmethoxybenzoate
AMY28168
SCHEMBL5804591
MFCD12827830
CS-0061818
Methyl 4-amino-3-(benzyloxy)-5-bromobenzenecarboxylate
I10770
AKOS005072998
DTXSID90670635
881909-58-6
J-522292
Benzoic acid, 4-amino-3-bromo-5-(phenylmethoxy)-, methyl ester
Methyl 4-Amino-3-Bromo-5-Benzyloxybenzoate

MDL Number

MFCD12827830

FAQ

What are the physical and chemical properties of Methyl 4-amino-3-(benzyloxy)-5-bromobenzoate (CAS: 881909-58-6)?

Methyl 4-amino-3-(benzyloxy)-5-bromobenzoate is a crystalline compound with a molecular weight of approximately 329.16 g/mol. It is soluble in organic solvents such as ethanol and acetone but has low solubility in water. The compound is moderately reactive, particularly towards nucleophiles, and undergoes substitution reactions. It is stable under normal conditions but should be stored away from direct sunlight and moisture.

How is Methyl 4-amino-3-(benzyloxy)-5-bromobenzoate (CAS: 881909-58-6) typically synthesized?

Methyl 4-amino-3-(benzyloxy)-5-bromobenzoate is synthesized through a multi-step process involving bromination and coupling reactions. Commonly, benzoic acid is brominated, followed by the coupling of the bromobenzoic acid with a benzyloxyamine compound. The reaction typically proceeds under basic conditions with a catalyst like triethylamine, yielding a high yield of the target compound.

What industries use Methyl 4-amino-3-(benzyloxy)-5-bromobenzoate (CAS: 881909-58-6)?

Methyl 4-amino-3-(benzyloxy)-5-bromobenzoate is primarily used in the pharmaceutical industry for the synthesis of complex organic compounds. It also finds applications in the polymer industry for the development of functional polymers and in the sensor industry for the creation of chemical sensors. Its use in semiconductors is limited but exists in specialized applications.

What precautions should be taken when handling Methyl 4-amino-3-(benzyloxy)-5-bromobenzoate (CAS: 881909-58-6)?

When handling Methyl 4-amino-3-(benzyloxy)-5-bromobenzoate, proper personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation of dust or vapors. Spills should be cleaned up immediately using appropriate absorbents, and the area should be thoroughly washed with water. Safety data sheets (SDS) should be consulted for detailed handling and disposal information.