7-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

Name: 7-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 1059735-34-0
Cat. No. CS-D0228
Purity≥95%
MDL No.MFCD11846183

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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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7-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine|CS-D0228

Structure of 1059735-34-0

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General Information

CAS No. 1059735-34-0
Cat. No. CS-D0228
Purity ≥95%
MDL No. MFCD11846183
Storage -20°C, sealed storage, away from moisture and light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₃Cl₂N₃
Molecular Weight 294.18
Synonym(s) 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILES ClC1=NC2=C(C(Cl)=N1)CCN(CC3=CC=CC=C3)C2

Description

7-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine features a rigid, electron-deficient heterocyclic core paired with a benzylic handle for downstream functionalization. This scaffold integrates readily into medicinal chemistry campaigns targeting kinase inhibition and exhibits favorable stability under standard bench conditions.

Application

7-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine serves as a versatile heterocyclic building block for medicinal chemistry and catalytic synthesis. The molecule features two electrophilic chlorides at C2 and C4, enabling nucleophilic substitution under mild conditions. Its benzylic group enhances solubility and stability, while the tetrahydropyridopyrimidine core provides a rigid scaffold suitable for functionalization in drug discovery workflows. Functions effectively in Pd-catalyzed cross-coupling and amine substitution reactions, offering high yields and straightforward purification.

Synthesis

Route1
- In-stock
  
  62459-02-3
- ~33%
- In-stock
  
  1059735-34-0
References
- ZHOU, Han-Jie; PARLATI, Francesco; WUSTROW, David Patent: WO2014/15291 A1, 2014 ; Location in patent: Page/Page column 174; 175 ;
Route2
- In-stock
  
  39514-19-7
- ~%
- In-stock
  
  1059735-34-0
References
- WO2014/15291 A1, ;

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 29.02
LogP 3.3417
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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7-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

CAS No. 1059735-34-0

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