1-Chloropyrrolo[1,2-c]pyrimidine

CAS No. 918340-50-8
Cat. No. CS-0101506
Molecule weight152.58
Purity≥98%
MDL No.MFCD09838155

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1-Chloropyrrolo[1,2-c]pyrimidine|CS-0101506

Structure of 918340-50-8

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General Information

CAS No. 918340-50-8
Cat. No. CS-0101506
Purity ≥98%
MDL No. MFCD09838155
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅ClN₂
Molecular Weight 152.58
Synonym(s) None
SMILES ClC1=NC=CC2=CC=CN12

Description

1-Chloropyrrolo[1,2-c]pyrimidine serves as a key heterocyclic scaffold for medicinal chemistry and materials science. This electron-deficient system integrates readily into diverse synthetic architectures, offering high reactivity at the chlorine site under standard conditions. The fused ring framework provides rigidity and planarity, enhancing π-stacking potential in functional molecular assemblies.

Application

1-Chloropyrrolo[1,2-c]pyrimidine serves as a versatile building block in medicinal chemistry, enabling efficient late-stage functionalization via palladium-catalyzed cross-coupling reactions. Its electrophilic chlorine atom facilitates regioselective substitution under mild conditions, supporting the construction of complex heterocyclic scaffolds relevant to kinase inhibitors and antiviral agents. The compound exhibits excellent bench stability and compatibility with diverse functional groups, simplifying purification and scalability in API synthesis workflows.

Synthesis

Route1
- 811450-47-2
- ~12%
- 918340-50-8
References
- YALE UNIVERSITY Patent: WO2007/38387 A2, 2007 ; Location in patent: Page/Page column 37-38; 79-80 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2810
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

TPSA 17.3
LogP 1.9877
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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1-Chloropyrrolo[1,2-c]pyrimidine

CAS No. 918340-50-8

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