3-Formyl-4-methoxybenzoic acid

Basic Information

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CAS Number

91420-99-4

Molecular Formula

C9H8O4

Molecular Weight

180.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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COC1=C(C=C(C=C1)C(=O)O)C=O

InChI

InChI=1S/C9H8O4/c1-13-8-3-2-6(9(11)12)4-7(8)5-10/h2-5H,1H3,(H,11,12)

InChIKey

LAQPQIRPQCMEHG-UHFFFAOYSA-N

LogP

1.2059

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

202

Synonyms & References

English

3-Formyl-4-methoxybenzoic Acid
3-Formyl-4-methoxy-benzoesaeure
3-Formyl-4-methoxy-benzoic acid
Benzoic acid,3-formyl-4-methoxy
Benzoic acid, 3-formyl-4-methoxy-
3-Formyl-4-methoxybenzoicAcid
LAQPQIRPQCMEHG-UHFFFAOYSA-N
5887AJ
TRA0088279
SY026515
3-Formyl-4-methoxybenzoic acid (ACI)
Z1255436097
MFCD12405165
CS-0143798
91420-99-4
DTXSID50597637
3-Formyl-4-methoxybenzoic acid
EN300-673357
DB-079013
AKOS024201201
SCHEMBL1987664
AS-32309

MDL Number

MFCD12405165

FAQ

What are the physical and chemical properties of 3-Formyl-4-methoxybenzoic acid (CAS: 91420-99-4)?

3-Formyl-4-methoxybenzoic acid is a crystalline solid with a molecular weight of approximately 212.21 g/mol. It has a pKa of around 3.2 and is slightly soluble in water. This compound is reactive, particularly towards nucleophilic attack on the formyl group and the carboxylic acid functionality. It exhibits good solubility in organic solvents such as methanol and ethanol.

How is 3-Formyl-4-methoxybenzoic acid (CAS: 91420-99-4) typically synthesized?

3-Formyl-4-methoxybenzoic acid can be synthesized by the oxidation of 4-methoxybenzyl alcohol using peroxyacids like peroxybenzoic acid. Alternatively, it can be prepared by formylation of 4-methoxybenzoic acid using formyl chloride and a base such as sodium hydride. The reaction typically provides high yields and good selectivity.

What industries use 3-Formyl-4-methoxybenzoic acid (CAS: 91420-99-4)?

3-Formyl-4-methoxybenzoic acid finds applications in the pharmaceutical industry for the synthesis of various biologically active compounds. It is also used in the polymer industry as a monomer for the production of special polymers and in the semiconductor industry for its use in organic thin-film transistors and sensors.

What precautions should be taken when handling 3-Formyl-4-methoxybenzoic acid (CAS: 91420-99-4)?

When handling 3-Formyl-4-methoxybenzoic acid, proper personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat should be worn. It should be stored in a cool, dry place, away from direct sunlight and heat sources. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.