4-Chloro-2-methylbenzofuro[3,2-d]pyrimidine

Name: 4-Chloro-2-methylbenzofuro[3,2-d]pyrimidine
Brand: ChemScene
Availability: InStock
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CAS No. 39786-40-8
Cat. No. CS-0043670
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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4-Chloro-2-methylbenzofuro[3,2-d]pyrimidine|CS-0043670

Structure of 39786-40-8

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General Information

CAS No. 39786-40-8
Cat. No. CS-0043670
Purity ≥97%
MDL No. None
Storage -20°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₇ClN₂O
Molecular Weight 218.64
Synonym(s) 4-chloro-2-Methylbenzofuropyrimidine
SMILES CC1=NC(Cl)=C(OC2=CC=CC=C23)C3=N1

Description

4-Chloro-2-methylbenzofuro[3,2-d]pyrimidine is a heterocyclic scaffold featuring a fused benzofuran-pyrimidine core with strategic chlorine and methyl substitutions. This electron-deficient system enables efficient coupling in transition-metal-catalyzed reactions, serving as a key building block for pharmaceutical intermediates and advanced materials.

Application

4-Chloro-2-methylbenzofuro[3,2-d]pyrimidine serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to purine and pyrimidine-based scaffolds. Its chloro and methyl substituents provide orthogonal reactivity for cross-coupling, nucleophilic substitution, and further functionalization. The fused tricyclic framework offers rigidity and metabolic stability, making it valuable in the development of kinase inhibitors and other bioactive compounds.

Synthesis

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References
- Sangapure,S.S.; Agasimundin,Y.S. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1978 , vol. 16, p. 627 - 629
Route2
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  62208-67-7
- In-stock
  
  127-19-5
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- In-stock
  
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References
- Hirota; Sasaki; Tashima; Nakayama Journal of Heterocyclic Chemistry, 1991 , vol. 28, # 2 p. 263 - 267
Route3
- 68217-77-6
- ~%
- In-stock
  
  39786-40-8
References
- Sangapure,S.S.; Agasimundin,Y.S. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1978 , vol. 16, p. 627 - 629

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 38.92
LogP 3.33782
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzofuran compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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4-Chloro-2-methylbenzofuro[3,2-d]pyrimidine

CAS No. 39786-40-8

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