Methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate

Basic Information

View in Editor

CAS Number

688357-19-9

Molecular Formula

C9H7ClN2O2

Molecular Weight

210.62 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

224-225°

Boiling Point

400.229℃/760mmHg

Density

1.453

Flash Point

195.852℃

Refractive Index

1.657

SMILES

View in Editor

COC(=O)C1=CC2=C(N1)C=CN=C2Cl

InChI

InChI=1S/C9H7ClN2O2/c1-14-9(13)7-4-5-6(12-7)2-3-11-8(5)10/h2-4,12H,1H3

InChIKey

NFEOJQQNFBVATP-UHFFFAOYSA-N

LogP

2.0029

Topological Polar Surface Area

54.980000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

237

Safety Information

View Safety Information

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

NFEOJQQNFBVATP-UHFFFAOYSA-N
AKOS005072350
Methyl 4-chloro-5-azaindole-2-carboxylate
CS-W004499
METHYL4-CHLORO-5-AZAINDOLE-2-CARBOXYLATE
ED-0726
DTXSID50650256
PB14766
J-522330
4-CHLORO-1H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER
1H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXYLIC ACID, 4-CHLORO-, METHYL ESTER
688357-19-9
SY008566
FT-0648688
SCHEMBL1255142
methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
AMY7617
MFCD09870065
1H-Pyrrolo[3,2-c]pyridine-2-carboxylic acid, 4-chloro-, methyl ester
PubChem19286
SBB094404
RP09520
OR16875
TRA0096170
FCH1327489

MDL Number

MFCD09870065

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate (CAS: 688357-19-9)?

Methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate (CAS: 688357-19-9) is a crystalline solid with a molecular weight of approximately 233.59 g/mol. It is poorly soluble in water but soluble in organic solvents such as methanol and acetonitrile. Chemically, it is reactive and can undergo substitution reactions and condensation reactions. This compound has a melting point of around 150°C and is stable under normal laboratory conditions.

How is Methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate (CAS: 688357-19-9) typically synthesized?

Methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate (CAS: 688357-19-9) is typically synthesized via a condensation reaction of methyl 2-chloro-4-pyridinecarboxylate with 1H-pyrrolo[3,2-c]pyridine. The reaction involves the use of a dehydrating agent such as phosphorus oxychloride to promote the reaction. The yield is usually around 75-80%, and the product is isolated by recrystallization.

What industries use Methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate (CAS: 688357-19-9)?

Methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate (CAS: 688357-19-9) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the production of organic semiconductors and other chemical intermediates. This compound can be a valuable intermediate in the development of innovative materials for electronics and sensors.

What precautions should be taken when handling Methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate (CAS: 688357-19-9)?

When handling Methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate (CAS: 688357-19-9), proper personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.