Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate

Basic Information

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CAS Number

152628-01-8

Molecular Formula

C13H16N2O5

Molecular Weight

280.28 g/mol

EINECS

604-865-0

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

Basic Physical Properties

Physical State

White

Melting Point

150-153°C

Boiling Point

468.1±45.0 °C(Predicted)

Density

1.265

Flash Point

236.9°C

Solubility

Chloroform (Slightly), Methanol (Slightly)

Refractive Index

1.572

SMILES

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CCCC(=O)NC1=C(C=C(C=C1C)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-4-5-11(16)14-12-8(2)6-9(13(17)20-3)7-10(12)15(18)19/h6-7H,4-5H2,1-3H3,(H,14,16)

InChIKey

IGCBUUTXGYCQAI-UHFFFAOYSA-N

LogP

3.02460

pKa

13.27±0.70(Predicted)

Complexity

379

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

methyl 4-butyramido-3-methyl-5-nitrobenzoate
152628-01-8
Benzoic acid, 3-methyl-5-nitro-4-[(1-oxobutyl)amino]-, methyl ester
EN300-312373
METHYL 4-BUTANAMIDO-3-METHYL-5-NITROBENZOATE
methyl 4-(butanoylamino)-3-methyl-5-nitrobenzoate
Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate
methyl 4-butyrylamino-3-methyl-5-nitrobenzoate
DTXSID00430843
SCHEMBL159718
Methyl4-(butyrylamino)-3-methyl-5-nitrobenzoate
MFCD08062447
3-methyl-4-butyrylamido-5-nitro benzoic acid methyl ester
FT-0658279
AM90295
G8JE88MQU7
(S)-(+)-2-MethylglutaricAcid
AC-6378
4-butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester
4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester; Methyl 4-Butyrylamino-3-methyl-5-nitrobenzoate
4-Butyrylamino-3-methyl-5-nitro benzoic acid methyl ester
IGCBUUTXGYCQAI-UHFFFAOYSA-N
Telmisartan Impurity 5
Methyl4-butyramido-3-methyl-5-nitrobenzoate
BCP22448
AKOS015889748
AS-18123
Methyl-4-(butyrylamino)-3-methyl-5-nitrobenzote
Methyl-4-(Butyrylamino)-3-
3-Methyl-4-Butyrylamido-5-NitrylBenzoicAcidMethylEster[TelmisartanIntermediates]
4-BUTANAMIDO-3-METHYL-5-NITROBENZOIC ACID

MDL Number

MFCD08062447

EC Number

604-865-0

Customs Code

2924299090

FAQ

What are the physical and chemical properties of Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate (CAS: 152628-01-8)?

Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate has a crystalline form with a molecular weight of approximately 312.33 g/mol. It is moderately soluble in common organic solvents like DMSO and ethanol. The compound is known for its reactivity, particularly towards nucleophilic aromatic substitution and ester hydrolysis.

How is Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate (CAS: 152628-01-8) typically synthesized?

Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate is synthesized through the amidation of methyl 3-methyl-5-nitrobenzoate with butyryl chloride in the presence of a base like triethylamine. The reaction typically yields a high percentage of the desired product with good selectivity.

What industries use Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate (CAS: 152628-01-8)?

Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds applications in the polymer industry for the development of specialized polymers with specific properties.

What precautions should be taken when handling Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate (CAS: 152628-01-8)?

When handling Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a fume hood to avoid exposure. In case of a spill, clean up with appropriate absorbent materials and dispose of according to laboratory safety protocols. Refer to the Safety Data Sheet (SDS) for detailed guidance.