Methyl 4-acetamido-5-chloro-2-methoxybenzoate

Basic Information

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CAS Number

4093-31-6

Molecular Formula

C11H12ClNO4

Molecular Weight

257.67 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

153-156 °C

Boiling Point

440.2℃ at 760 mmHg

Flash Point

220.0±28.7 °C

Refractive Index

1.6000 (estimate)

SMILES

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

InChI

InChI=1S/C11H12ClNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)

InChIKey

OUEXNQRVYGYGIK-UHFFFAOYSA-N

LogP

2.0936

Topological Polar Surface Area

64.63 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

297

Safety Information

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Hazard Statement

Synonyms & References

English

AKOS002952816
Oprea1_093629
Tox21_113842
DTXCID3031529
SY034797
Methyl 4-Acetylamino-5-chloro-2-methoxybenzoate
AS-12356
DTXSID6057740
CS-0128349
Q27257067
EC 223-840-1
METHYL-4-ACETYLAMINO-5-CHLORO-2-METHOXYBENZOATE
3D7Z5O4UXA
SCHEMBL130152
methyl 4-(acetylamino)-5-chloro-2-methoxybenzoate
SR-01000944779
NCGC00253723-01
methyl 2-methoxy-4-acetamido-5-chlorobenzoate
InChI=1/C11H12ClNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14
methyl 5-chloro-4-acetamido-2-methoxybenzoate
4093-31-6
4-(N-acetylamino)-5-chloro-2-methoxybenzoic acid, methyl ester
UNII-3D7Z5O4UXA
Methyl4-acetamido-5-chloro-2-methoxybenzoate
4-Acetylamino-5-chloro-2-methoxy-benzoic acid methyl ester
MetocloprBmide EP Impurity B
SR-01000944779-1
AC7971
MFCD00048191
4-acetamido-5-chloro-2-methoxybenzoic acid methyl ester
CHEMBL3561753

MDL Number

MFCD00048191

Customs Code

2924299090

FAQ

What are the physical and chemical properties of Methyl 4-acetamido-5-chloro-2-methoxybenzoate (CAS: 4093-31-6)?

Methyl 4-acetamido-5-chloro-2-methoxybenzoate is a crystalline compound with a molecular weight of approximately 311.65 g/mol. It has a low solubility in water but is more soluble in organic solvents such as methanol and acetone. The compound is relatively stable under normal conditions but may react with strong bases. It is primarily used in pharmaceutical and polymer synthesis.

How is Methyl 4-acetamido-5-chloro-2-methoxybenzoate (CAS: 4093-31-6) typically synthesized?

Methyl 4-acetamido-5-chloro-2-methoxybenzoate is synthesized through a multi-step process involving the reaction of 2-methoxybenzoic acid with acetamide followed by chlorination. Commonly, this reaction is catalyzed with a Lewis acid and proceeds with high selectivity and yield, making it a cost-effective manufacturing method.

What industries use Methyl 4-acetamido-5-chloro-2-methoxybenzoate (CAS: 4093-31-6)?

Methyl 4-acetamido-5-chloro-2-methoxybenzoate is primarily used in the pharmaceutical and polymer industries. It serves as a key intermediate in the synthesis of various drugs and also finds applications in the development of new polymers with specific properties.

What precautions should be taken when handling Methyl 4-acetamido-5-chloro-2-methoxybenzoate (CAS: 4093-31-6)?

When handling Methyl 4-acetamido-5-chloro-2-methoxybenzoate, it is crucial to use appropriate personal protective equipment (PPE) such as gloves and goggles. Work should be conducted in a fume hood to minimize inhalation risks. In case of spillage, the area should be cleaned up immediately using appropriate materials, and the Safety Data Sheet (SDS) should be consulted for specific guidelines.