3-Acetamido-5-methoxybenzoic acid

Basic Information

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CAS Number

78238-03-6

Molecular Formula

C10H11NO4

Molecular Weight

209.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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CC(=O)NC1=CC(=CC(=C1)C(=O)O)OC

InChI

InChI=1S/C10H11NO4/c1-6(12)11-8-3-7(10(13)14)4-9(5-8)15-2/h3-5H,1-2H3,(H,11,12)(H,13,14)

InChIKey

CUTDJCLTOMWNGD-UHFFFAOYSA-N

LogP

1.3518

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

254

Synonyms & References

English

3-METHOXY-5-ACETYLAMINO-BENZOIC ACID
DTXSID60404449
AKOS015891182
MFCD00220469
FT-0650952
3-Acetylamino-5-Methoxybenzoic Acid
AS-44360
3-acetamido-5-methoxybenzoic acid
3-METHOXY-5-ACETYLAMINOBENZOIC ACID
3-acetamido-5-methoxybenzoicacid
EN300-9428298
78238-03-6
SCHEMBL3875503
Oprea1_440859
3-Methoxy-5-acetylaminobenzoic acid
3-Acetylamino-5-methoxybenzoicacid
3-(acetylamino)-5-methoxyBenzoic acid
Benzoic acid,3-(acetylamino)-5-methoxy-
AC1NDJ66
ACMC-20c4yw
CTK5E5550
3-acetamido-5-methoxy-benzoic Acid
RW4074
TRA0074474
AX8087740
ST50979838
4

MDL Number

MFCD00220469

Customs Code

2924299090

FAQ

What are the physical and chemical properties of 3-Acetamido-5-methoxybenzoic acid (CAS: 78238-03-6)?

3-Acetamido-5-methoxybenzoic acid is a white crystalline solid with a molecular weight of approximately 224.17 g/mol. It has a pKa of about 4.1 and is moderately soluble in water. The compound is reactive towards nucleophiles and can undergo substitution reactions. It is slightly soluble in common organic solvents like ethanol and acetone.

How is 3-Acetamido-5-methoxybenzoic acid (CAS: 78238-03-6) typically synthesized?

3-Acetamido-5-methoxybenzoic acid is typically synthesized via the acetylation of 5-methoxybenzoic acid followed by the amide coupling reaction. The synthesis involves the use of acetic anhydride and a suitable base such as pyridine. The yield is generally around 80-85%, and the reaction is carried out with good selectivity.

What industries use 3-Acetamido-5-methoxybenzoic acid (CAS: 78238-03-6)?

3-Acetamido-5-methoxybenzoic acid is used in the pharmaceutical industry for the synthesis of certain drugs. It is also employed in the polymer industry as a monomer in the production of various polymers. Additionally, it finds applications in the development of sensors and in semiconductor materials due to its specific chemical properties.

What precautions should be taken when handling 3-Acetamido-5-methoxybenzoic acid (CAS: 78238-03-6)?

When handling 3-Acetamido-5-methoxybenzoic acid, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. The compound should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always refer to the safety data sheet (SDS) for detailed safety information.