Methyl 3-amino-5-methyl-2-thiophenecarboxylate

Basic Information

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CAS Number

76575-71-8

Molecular Formula

C7H9NO2S

Molecular Weight

171.22 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

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Yellow to Brown Solid

Melting Point

84-85 ºC (methanol )

Boiling Point

319.2℃ at 760 mmHg

Density

1.264±0.06 g/cm3 (20 ºC 760 Torr),

Water Solubility

Slightly soluble in water.

SMILES

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CC1=CC(=C(S1)C(=O)OC)N

InChI

InChI=1S/C7H9NO2S/c1-4-3-5(8)6(11-4)7(9)10-2/h3H,8H2,1-2H3

InChIKey

FVKMOPIFLCMZMI-UHFFFAOYSA-N

LogP

1.4253200000000001

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

163

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

FVKMOPIFLCMZMI-UHFFFAOYSA-N
3-amino-5-methylthiophene-2-carboxylic acid, methyl ester
EN300-260448
3-Amino-5-methyl-thiophene-2-carboxylic acid methyl ester
AKOS006275447
CS-D0235
A9703
AM806835
J-511656
2-Thiophenecarboxylic acid, 3-amino-5-methyl-, methyl ester
DTXSID80356017
MFCD00130095
FT-0678646
methyl-3-amino-5-methylthiophene-2-carboxylate
3-amino-5-methylthiophene-2-carboxylic acid methyl ester
Methyl 3-amino-5-methylthiophen-2-carboxylate
PB15649
76575-71-8
3-amino-5-methyl-2-thiophene-carboxylic acid, methyl ester
3-amino-5-methyl-2-thiophenecarboxylic acid, methyl ester
FS-2174
SY040396
methyl 3-amino-5-methylthiophene-2-carboxylate
Methyl 3-amino-5-methyl thiophene-2-carboxylate
SCHEMBL166726
Methyl 3-amino-5-methylthiophene-2-carboxylate
2-Thiophenecarboxylicacid, 3-amino-5-methyl-, methyl ester
3-amino-5-methylthiophene-2-carboxylate
3-AMINO-5-METHYLTHIOPHENE-2-CARBOXYLIC ACID, METHYL ESTER
C7H9NO2S
METHYL3-AMINO-5-METHYLTHIOPHENE-2-CARBOXYLATE

MDL Number

MFCD00130095

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Methyl 3-amino-5-methyl-2-thiophenecarboxylate (CAS: 76575-71-8)?

Methyl 3-amino-5-methyl-2-thiophenecarboxylate (CAS: 76575-71-8) is a crystalline compound with a molecular weight of approximately 184.22 g/mol. It has a high solubility in organic solvents like ethanol and acetone, but is only slightly soluble in water. The compound is known for its reactivity, particularly in nucleophilic substitution reactions, and it can act as a weak acid in certain conditions.

How is Methyl 3-amino-5-methyl-2-thiophenecarboxylate (CAS: 76575-71-8) typically synthesized?

Methyl 3-amino-5-methyl-2-thiophenecarboxylate can be synthesized via a multi-step process involving the condensation of 3-amino-5-methylthiophenol with methyl acetate in the presence of a catalytic amount of sulfuric acid. The reaction is performed under mild conditions, and the product is purified by recrystallization from acetone. The yield is typically around 75-80%.

What industries use Methyl 3-amino-5-methyl-2-thiophenecarboxylate (CAS: 76575-71-8)?

Methyl 3-amino-5-methyl-2-thiophenecarboxylate is used in the pharmaceutical industry for the synthesis of certain drugs, and also in the polymer industry for the modification of polymer properties. It has potential applications in the development of sensors and semiconductors due to its functional groups.

What precautions should be taken when handling Methyl 3-amino-5-methyl-2-thiophenecarboxylate (CAS: 76575-71-8)?

When handling Methyl 3-amino-5-methyl-2-thiophenecarboxylate (CAS: 76575-71-8), it is important to use appropriate personal protective equipment (PPE) such as gloves and goggles. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation. In case of a spill, it should be carefully cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed safety information.