4-Chloro-7H-pyrrolo[2,3-d]pyrimidine

Name: 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 3680-69-1
Cat. No. CS-B0456
Purity≥98%
MDL No.MFCD01686865

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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4-Chloro-7H-pyrrolo[2,3-d]pyrimidine|CS-B0456

Structure of 3680-69-1

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General Information

CAS No. 3680-69-1
Cat. No. CS-B0456
Purity ≥98%
MDL No. MFCD01686865
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄ClN₃
Molecular Weight 153.57
Synonym(s) None
SMILES ClC1=C2C(NC=C2)=NC=N1

Description

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine serves as a critical heterocyclic scaffold in medicinal chemistry, featuring a reactive chlorine atom at the 4-position that enables facile functionalization via nucleophilic substitution. This electron-deficient core integrates readily into kinase inhibitors and antiviral agents, offering high stability under standard bench conditions.

Synthesis

Route1
- In-stock
  
  3680-71-5
- ~93%
- In-stock
  
  3680-69-1
References
- Heinrich, Timo; Staehle, Wolfgang; Greiner, Hartmut; Blaukat, Andree Patent: US2010/160356 A1, 2010 ; Location in patent: Page/Page column 33 ;
Route2
- 52133-67-2
- ~%
- In-stock
  
  3680-69-1
References
- Tsytovich, A. V.; Shamshin, D. V.; Burkovskii, V. B.; Shvets, V. I. Russian Journal of Bioorganic Chemistry, 1995 , vol. 21, # 11 p. 756 - 761 Bioorganicheskaya Khimiya, 1995 , vol. 21, # 11 p. 874 - 880
Route3
- In-stock
  
  7400-05-7
- ~%
- In-stock
  
  3680-69-1
References
- Diederichsen, Ulf; Schmitt, Harald W. European Journal of Organic Chemistry, 1998 , # 5 p. 827 - 835

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 41.57
LogP 1.6113
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Bioactive Molecules Dye and Bio-assay Reagents

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Drug Discovery Inflammation/Immunology JAK

Biochemistry Biochemicals and Reagents Nucleosides, Nucleotides, Oligonucleotides Nucleobases and their Analogs

Key Words

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4-Chloro-7H-pyrrolo[2,3-d]pyrimidine

CAS No. 3680-69-1

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