Methyl 5-amino-1-benzothiophene-2-carboxylate

Basic Information

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CAS Number

20699-85-8

Molecular Formula

C10H9NO2S

Molecular Weight

207.25 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

178-179 ºC

Boiling Point

382.8°C at 760 mmHg

SMILES

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COC(=O)C1=CC2=C(S1)C=CC(=C2)N

InChI

InChI=1S/C10H9NO2S/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,11H2,1H3

InChIKey

SIMBULBEQVHFPK-UHFFFAOYSA-N

LogP

2.2701000000000002

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

234

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

CCG-251621
methyl 5-aminobenzo[b]thiophene-carboxylate
A814824
5-amino-1-benzothiophene-2-carboxylic acid methyl ester
methyl 5-azanyl-1-benzothiophene-2-carboxylate
AKOS000348721
HMS1443I13
20699-85-8
SCHEMBL100069
IDI1_015800
5-Amino-benzo[b]thiophene-2-carboxylic acid methyl ester
Benzo[b]thiophene-2-carboxylic acid, 5-amino-, methyl ester
DS-1439
Methyl 5-aminobenzo[b]thiophene-2-carboxylate
CS-W022860
J-522435
Methyl-5-amino-benzo[b]thiophene-2-carboxylate
SR-01000003835-1
MFCD04123924
CHEBI:194920
DTXSID40384972
SY081387
SR-01000003835
AC-5192
5-Aminothionaphthene-2-carboxylic acid methyl ester
methyl 5-amino-1-benzothiophene-2-carboxylate
5-Amino-benzo[b]thiophene-2-carboxylic acid methylester
EN300-41620
SDCCGMLS-0066170.P001
Maybridge3_004413
Z424770408

MDL Number

MFCD04123924

Customs Code

2934999090

FAQ

What is Methyl 5-amino-1-benzothiophene-2-carboxylate (CAS: 20699-85-8)?

Methyl 5-amino-1-benzothiophene-2-carboxylate is an organic compound with the CAS number 20699-85-8. It is a colorless solid and has a molecular formula of C11H10N2O2S. This compound is used as an intermediate in the synthesis of various pharmaceuticals and organic chemicals.

What are the main uses of Methyl 5-amino-1-benzothiophene-2-carboxylate (CAS: 20699-85-8)?

Methyl 5-amino-1-benzothiophene-2-carboxylate is primarily used as a key intermediate in the pharmaceutical industry, particularly in the synthesis of drugs targeting various therapeutic areas such as antiviral and anticancer treatments. It is also used in the synthesis of organic electronic materials and as a starting material for research purposes.

Is Methyl 5-amino-1-benzothiophene-2-carboxylate (CAS: 20699-85-8) safe?

Methyl 5-amino-1-benzothiophene-2-carboxylate is generally considered safe under normal handling conditions. However, it should be handled with appropriate protective measures, including the use of gloves and goggles. Exposure to skin or eyes should be avoided, and it should be stored in a cool, dry place away from direct sunlight and heat sources.

How should Methyl 5-amino-1-benzothiophene-2-carboxylate (CAS: 20699-85-8) be stored?

Methyl 5-amino-1-benzothiophene-2-carboxylate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to protect it from moisture and air. The storage temperature should be maintained below 25°C to ensure stability and prevent degradation.