methyl 1H-pyrrolo[3,2-c]pyridine-3-carboxylate

Basic Information

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CAS Number

1353101-49-1

Molecular Formula

C9H8N2O2

Molecular Weight

176.18 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

Basic Physical Properties

SMILES

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COC(=O)C1=CNC2=C1C=NC=C2

InChI

InChI=1S/C9H8N2O2/c1-13-9(12)7-5-11-8-2-3-10-4-6(7)8/h2-5,11H,1H3

InChIKey

LAACYBDGZPXTJM-UHFFFAOYSA-N

LogP

1.3495

Topological Polar Surface Area

54.980000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

208

Synonyms & References

English

Methyl 1H-pyrrolo[3,2-c]pyridine-3-carboxylate
AK134703
6313AA
WT1434
SB13983
FCH1608016
AX8256471
1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid methyl ester
methyl 1H-pyrrolo[3,2-c]pyridine-3-carboxylate
AKOS016842684
1353101-49-1
MFCD21090431
DB-191183
A887681
DTXSID10719939
CS-0043713
Methyl1H-pyrrolo[3,2-c]pyridine-3-carboxylate
AS-10404

MDL Number

MFCD21090431

FAQ

What are the physical and chemical properties of methyl 1H-pyrrolo[3,2-c]pyridine-3-carboxylate (CAS: 1353101-49-1)?

Methyl 1H-pyrrolo[3,2-c]pyridine-3-carboxylate is a crystalline solid with a molecular weight of approximately 218.2 g/mol. It has a low solubility in water but is soluble in organic solvents like dichloromethane and acetonitrile. It is not particularly reactive, but it can undergo ester hydrolysis under acidic conditions. This compound has a melting point of around 110-112°C.

How is methyl 1H-pyrrolo[3,2-c]pyridine-3-carboxylate (CAS: 1353101-49-1) typically synthesized?

Methyl 1H-pyrrolo[3,2-c]pyridine-3-carboxylate can be synthesized by reacting methyl 3-carboxy-1H-pyrrolo[3,2-c]pyridine with a suitable reagent. One common method involves the condensation of methyl 3-carboxy-1H-pyrrolo[3,2-c]pyridine with ethyl chloroacetate in the presence of a base like triethylamine. The yield is generally around 85%, with good selectivity.

What industries use methyl 1H-pyrrolo[3,2-c]pyridine-3-carboxylate (CAS: 1353101-49-1)?

Methyl 1H-pyrrolo[3,2-c]pyridine-3-carboxylate is used in pharmaceuticals for the synthesis of certain drug candidates due to its structural complexity. It may also have applications in the development of sensors and semiconductors, although its use in these industries is less well-documented compared to pharmaceuticals.

What precautions should be taken when handling methyl 1H-pyrrolo[3,2-c]pyridine-3-carboxylate (CAS: 1353101-49-1)?

When handling methyl 1H-pyrrolo[3,2-c]pyridine-3-carboxylate, it is important to use proper Personal Protective Equipment (PPE), including gloves, goggles, and a lab coat. Store the compound in a cool, dry place away from direct sunlight and heat sources. In case of spill, use appropriate spill cleanup equipment and consult the Safety Data Sheet (SDS) for further instructions. Keep the area well-ventilated, and use a fume hood if necessary.