4-Chloro-2-methyl-1H-pyrrolo[2,3-d]pyrimidine

Basic Information

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CAS Number

71149-52-5

Molecular Formula

C7H6ClN3

Molecular Weight

167.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Solid

Boiling Point

229.938°C at 760 mmHg

Density

1.438

Flash Point

114.932°C

Refractive Index

1.688

SMILES

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CC1=NC2=C(C=CN2)C(=N1)Cl

InChI

InChI=1S/C7H6ClN3/c1-4-10-6(8)5-2-3-9-7(5)11-4/h2-3H,1H3,(H,9,10,11)

InChIKey

HCFJHJBEGJJOMO-UHFFFAOYSA-N

LogP

1.9197199999999996

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

153

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

MFCD09746275
4-CHLORO-2-METHYL-7H-PYRROLO[2,3-D]PYRIMIDINE
AKOS015951437
AC-22318
AB51256
Z1696822330
1H-PYRROLO[2,3-D]PYRIMIDINE, 4-CHLORO-2-METHYL-
AKOS006330362
HCFJHJBEGJJOMO-UHFFFAOYSA-N
SY046593
FT-0649443
DTXSID70448334
DS-10988
4-Chloro-2-methyl-1H-pyrrolo[2,3-d]pyrimidine
SCHEMBL3011647
EN300-94330
71149-52-5
AMY6980
4-Chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine, AldrichCPR
A9337
CS-W008222
J-514966
4-Chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-2-methyl-
1H-Pyrrolo[2,3-d]pyrimidine,4-chloro-2-methyl- (9CI)
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-2-methyl-(7CI)
4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine

MDL Number

MFCD09746275

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-Chloro-2-methyl-1H-pyrrolo[2,3-d]pyrimidine (CAS: 71149-52-5)?

4-Chloro-2-methyl-1H-pyrrolo[2,3-d]pyrimidine is a crystalline solid with a molecular weight of approximately 220.57 g/mol. It has a low water solubility and is moderately soluble in organic solvents like DMSO and acetonitrile. This compound is known for its low reactivity under normal conditions but can undergo substitution reactions under appropriate conditions. It is stable under standard storage conditions but should be protected from moisture and heat.

How is 4-Chloro-2-methyl-1H-pyrrolo[2,3-d]pyrimidine (CAS: 71149-52-5) typically synthesized?

4-Chloro-2-methyl-1H-pyrrolo[2,3-d]pyrimidine can be synthesized through the condensation of 2-chloro-4-methylpyrimidine with 1,3-dihydro-2H-pyrrole. The reaction is typically carried out in the presence of a base such as potassium carbonate. The yield is around 70-80% and the reaction is selective with high stereoselectivity. The product can be purified by recrystallization from organic solvents.

What industries use 4-Chloro-2-methyl-1H-pyrrolo[2,3-d]pyrimidine (CAS: 71149-52-5)?

4-Chloro-2-methyl-1H-pyrrolo[2,3-d]pyrimidine is primarily used in the pharmaceutical industry for intermediates in the synthesis of drugs. It is also used in the chemical industry for the production of polymers and as a precursor for the development of new materials. Additionally, it has applications in the synthesis of sensors and semiconductors.

What precautions should be taken when handling 4-Chloro-2-methyl-1H-pyrrolo[2,3-d]pyrimidine (CAS: 71149-52-5)?

When handling 4-Chloro-2-methyl-1H-pyrrolo[2,3-d]pyrimidine (CAS: 71149-52-5), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from moisture and heat. It should be handled in a well-ventilated area or a fume hood. In case of a spill, it should be cleaned up using appropriate methods and materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.