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

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

CAS No. 1100318-96-4
Cat. No. CS-0050827
Purity≥95%
MDL No.None

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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-Iodo-7H-pyrrolo[2,3-d]pyrimidine|CS-0050827

Structure of 1100318-96-4

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General Information

CAS No. 1100318-96-4
Cat. No. CS-0050827
Purity ≥95%
MDL No. None
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄IN₃
Molecular Weight 245.02
Synonym(s) 7H-Pyrrolo[2,3-d]pyriMidine, 4-iodo-
SMILES IC1=C2C=CNC2=NC=N1

Description

4-Iodo-7H-pyrrolo[2,3-d]pyrimidine is a bench-stable heterocyclic building block featuring a reactive iodine atom at the 4-position. This electrophilic site enables efficient coupling in palladium-catalyzed cross-coupling reactions. The electron-deficient pyrrolopyrimidine core supports integration into bioactive molecules and functional materials.

Application

4-Iodo-7H-pyrrolo[2,3-d]pyrimidine serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions to construct biologically relevant heterocyclic scaffolds. The iodine substituent provides high reactivity in Suzuki, Stille, and Negishi couplings, while the pyrrolo[2,3-d]pyrimidine core offers excellent bench stability and compatibility with diverse functional groups. This compound functions as a key intermediate in the synthesis of kinase inhibitors and other targeted therapeutics.

Synthesis

Route1
- 3680-69-1
- ~%
- In-stock
  
  1100318-96-4
References
- LABORATORIOS DEL DR. ESTEVE, S.A.; DRACONIS PHARMA, S.L.; ALMIRALL, S.A.; TORRENS JOVER, Andoni; MERCÈ VIDAL, Ramon; CALDENTEY FRONTERA, Francesc Xavier; RODRÍGUEZ GARRIDO, Antonio, David; CARCELLER GONZÁLEZ, Elena; SALAS SOLANA, Jordi Patent: WO2013/37960 A1, 2013 ; Location in patent: Page/Page column 74 ;

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 41.57
LogP 1.5625
H_Acceptors 2
H_Donors 1
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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4-Iodo-7H-pyrrolo[2,3-d]pyrimidine

CAS No. 1100318-96-4

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