Ethyl 2-amino-3-thiophenecarboxylate

Basic Information

View in Editor

CAS Number

31891-06-2

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

Melting Point

42 ~ 49°C

Boiling Point

273.6°C at 760 mmHg

Water Solubility

Slightly soluble in water.

Flash Point

119.3℃

SMILES

View in Editor

CCOC(=O)C1=C(SC=C1)N

InChI

InChI=1S/C7H9NO2S/c1-2-10-7(9)5-3-4-11-6(5)8/h3-4H,2,8H2,1H3

InChIKey

MKJQYFVTEPGXIE-UHFFFAOYSA-N

LogP

1.5070000000000001

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

151

Safety Information

View Safety Information

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

DS-0777
AM20090456
BB 0218388
AC-5468
2-amino-3-ethoxycarbonylthiophene
A22978
2-Amino-thiophene-3-carboxylic acid ethyl ester
FS-1458
MFCD01566303
DTXSID50365792
CS-W008319
ethyl 2-aminothiophene-3-carboxylate
AB09218
Z56769392
ethyl 2-amino-3-thiophenecarboxylate
J-520713
FT-0639003
3-THIOPHENECARBOXYLIC ACID, 2-AMINO-, ETHYL ESTER
ethyl 2-amino-3-thenoate
F2146-0062
MKJQYFVTEPGXIE-UHFFFAOYSA-N
ethyl 2-amino-thiophene-3-carboxylate
EN300-02969
SY003505
(R)-2-Diphenylphosphino,2-hydroxyl-1,1-binaphthyl
31891-06-2
ethyl2-aminothiophene-3-carboxylate
2-Aminothiophene-3-Carboxylic Acid Ethyl Ester
AKOS000200207
J-018564
Ethyl 2-amino-3-thiophenecarboxylate, AldrichCPR

MDL Number

MFCD01566303

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Ethyl 2-amino-3-thiophenecarboxylate (CAS: 31891-06-2)?

Ethyl 2-amino-3-thiophenecarboxylate (CAS: 31891-06-2) is a crystalline solid with a molecular weight of approximately 205.25 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and acetone. The compound is known for its reactivity, particularly towards nucleophiles and electrophiles, making it useful in various chemical reactions.

How is Ethyl 2-amino-3-thiophenecarboxylate (CAS: 31891-06-2) typically synthesized?

Ethyl 2-amino-3-thiophenecarboxylate (CAS: 31891-06-2) is typically synthesized via a multistep process involving the reaction of thiophene-3-carboxylic acid with ethylamine. The synthesis involves protecting the carboxyl group, amide formation, and deprotection steps. Catalysts such as HOBt (Hydroxylamine Hydrochloride) and DMAP (4-Dimethylaminopyridine) are often used to improve yield and selectivity.

What industries use Ethyl 2-amino-3-thiophenecarboxylate (CAS: 31891-06-2)?

Ethyl 2-amino-3-thiophenecarboxylate (CAS: 31891-06-2) is used in various industries, particularly in pharmaceuticals for developing new drug candidates, in polymers for enhancing material properties, and in sensors for detecting specific chemical compounds. It is also used in the synthesis of semiconductors for electronic devices.

What precautions should be taken when handling Ethyl 2-amino-3-thiophenecarboxylate (CAS: 31891-06-2)?

When handling Ethyl 2-amino-3-thiophenecarboxylate (CAS: 31891-06-2), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be performed in a well-ventilated area or fume hood. Spills should be contained and disposed of according to safety data sheet (SDS) guidelines. Always consult the SDS for detailed handling and storage instructions.