4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

Basic Information

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CAS Number

16372-08-0

Molecular Formula

C6H6ClN3

Molecular Weight

155.59 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

Boiling Point

311.9℃ at 760 mmHg

Density

1.377

Flash Point

311.9 °C at 760 mmHg

Refractive Index

1.592

SMILES

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C1CNC2=C1C(=NC=N2)Cl

InChI

InChI=1S/C6H6ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h3H,1-2H2,(H,8,9,10)

InChIKey

LJXVPXRXXVHTBP-UHFFFAOYSA-N

LogP

1.0979999999999999

Topological Polar Surface Area

37.81 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

130

Synonyms & References

English

4-Chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
J-515124
SY021978
SCHEMBL3803152
LJXVPXRXXVHTBP-UHFFFAOYSA-N
SB34104
AC-26908
AMY18256
16372-08-0
AKOS006326003
5H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-6,7-dihydro-
DTXSID50671981
FT-0645892
CS-W004915
5H-Pyrrolo[2,3-d]pyrimidine,4-chloro-6,7-dihydro-
4-chloro-5,6-dihydro-7h-pyrrolo[2,3-d]pyrimidine
A852918
4-chloro-5H,6H,7H-pyrrolo[2,3-d]pyrimidine
MFCD11518925
DS-10814
4-CHLORO-7-(4-METHOXYBENZYL)-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE
4-Chlor-5,6-dihydro-7H-pyrrolo<2,3-d>pyrimidin
QC-2488
4-chloro-5H,6H,7H-pyrrolo[2,3-d]pyriMidine
5H-Pyrrolo[2,3-d]pyriMidine,4-chloro-6,7-dihydro-
4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

MDL Number

MFCD11518925

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (CAS: 16372-08-0)?

4-Chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is a white or off-white crystalline solid with a molecular weight of approximately 190.01 g/mol. It is only slightly soluble in water but has good solubility in organic solvents like dimethyl sulfoxide (DMSO) and acetonitrile. This compound is moderately reactive, particularly toward nucleophiles, and can undergo substitution reactions, making it useful in various synthetic applications.

How is 4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (CAS: 16372-08-0) typically synthesized?

4-Chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine can be synthesized by the reaction of 1,2-dichloro-3,4-dihydro-5H-pyrrolo[2,3-d]pyrimidine with a chlorine-containing reagent. Common methods include the use of thionyl chloride or phosphorus oxychloride as the chlorinating agent. The synthetic process is typically carried out in a solvent like dichloromethane or toluene, with the reaction yielding up to 85% purity.

What industries use 4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (CAS: 16372-08-0)?

4-Chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is primarily used in the pharmaceutical industry for the development of antiviral and antifungal drugs. It is also employed in the production of polymer additives, sensors, and semiconductors due to its unique chemical properties. Its applications span from medical research to electronic and material science.

What precautions should be taken when handling 4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (CAS: 16372-08-0)?

When handling 4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Ensure the use of a fume hood to minimize exposure. In the case of spills, immediately clean up using appropriate absorbent materials and dispose of them according to local regulations. Always refer to the Safety Data Sheet (SDS) for specific handling guidelines and emergency procedures.