Ethyl 2-amino-1,3-benzothiazole-6-carboxylate

Basic Information

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CAS Number

50850-93-6

Molecular Formula

C10H10N2O2S

Molecular Weight

222.27 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

Pale-yellow to Yellow-brown Solid

Melting Point

241-245 °C

Boiling Point

386.8°C at 760 mmHg

Flash Point

187.7℃

SMILES

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CCOC(=O)C1=CC2=C(C=C1)N=C(S2)N

InChI

InChI=1S/C10H10N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12)

InChIKey

VYJSGJXWKSDUSG-UHFFFAOYSA-N

LogP

2.0552

Topological Polar Surface Area

65.21 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

250

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

EN300-235720
DTXSID60344997
F1981-0015
50850-93-6
2-amino-6-ethoxycarbonylbenzothiazole
3kid
2-Amino-1,3-benzothiazole-6-carboxylic acid ethyl ester
AH-357/03328062
2-Amino-benzothiazole-6-carboxylic acid ethyl ester
3X-0853
SR-01000512289-1
2-Amino-benzothiazole-6-carboxylic acid ethyl ester
A7533
Q27452869
MFCD00102724
Ethyl 2-amino-1,3-benzothiazole-6-carboxylate #
AM20050298
SR-01000512289
CS-W019437
ethyl 2-aminobenzo[d]thiazol-6-carboxylate
2-aminobenzothiazole-6-carboxylic acid ethyl ester
2-amino-benzothiazol-6-carboxylic acid ethyl ester
ethyl-2-amino-benzothiazole-6-carboxylate
ethyl 2-aminobenzo[d]thiazole-6-carboxylate
SCHEMBL13302168
ethyl 2-amino-benzothiazole-6-carboxylate, AldrichCPR
SCHEMBL73574
2-amino benzo thiazole-6-carboxylic acid ethyl ester
ethyl2-aminobenzo[d]thiazole-6-carboxylate
Ethyl 2-aminobenzothiazole-6-carboxylate
Ethyl 2-amino-benzothiazole-6-carboxylate

MDL Number

MFCD00102724

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Ethyl 2-amino-1,3-benzothiazole-6-carboxylate (CAS: 50850-93-6)?

Ethyl 2-amino-1,3-benzothiazole-6-carboxylate (CAS: 50850-93-6) is a white or light yellow crystalline solid with a molecular weight of approximately 244.27 g/mol. It is slightly soluble in water but has good solubility in organic solvents like ethanol and acetone. The compound shows moderate reactivity, particularly under basic conditions, where it can undergo nucleophilic substitution reactions. It is stable under normal laboratory conditions but should be stored in a cool, dry place away from direct sunlight.

How is Ethyl 2-amino-1,3-benzothiazole-6-carboxylate (CAS: 50850-93-6) typically synthesized?

Ethyl 2-amino-1,3-benzothiazole-6-carboxylate (CAS: 50850-93-6) is typically synthesized through a multi-step process involving the reaction of ethyl isothiocyanate with 2-amino-1,3-benzothiazole. The reaction is catalyzed by a base such as sodium hydroxide, and the product is isolated by recrystallization from an appropriate solvent. The overall yield is around 70-75%, and the method is known for its good selectivity.

What industries use Ethyl 2-amino-1,3-benzothiazole-6-carboxylate (CAS: 50850-93-6)?

Ethyl 2-amino-1,3-benzothiazole-6-carboxylate (CAS: 50850-93-6) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of certain drug molecules. It also has applications in the polymer industry, where it can be used as a stabilizer or additive. Additionally, it is used in the production of sensors and as a component in semiconductive materials due to its unique electronic properties.

What precautions should be taken when handling Ethyl 2-amino-1,3-benzothiazole-6-carboxylate (CAS: 50850-93-6)?

When handling Ethyl 2-amino-1,3-benzothiazole-6-carboxylate (CAS: 50850-93-6), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place away from heat sources and direct sunlight. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.