ChemicalBook > Product Catalog >Pharmaceutical intermediates >Heterocyclic compound >Pyridine compound >Benzylpyridinium >6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

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

6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine Structure
CAS No.
914612-23-0
Chemical Name:
6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Synonyms
CIVENTICHEM CV-5309;6-benzyl-4-chloro-5;6-Benzyl-4-chloro-5,6,7,8...;6-benzyl-4-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyriMidine;6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;-BENZYL-4-CHLORO-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE;6-BENZYL-4-CHLORO-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE;Pyrido[4,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-6-(phenylmethyl)-;6-BENZYL-4-CHLORO-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE ISO 9001:2015 REACH
CBNumber:
CB6290209
Molecular Formula:
C14H14ClN3
Molecular Weight:
259.73
MOL File:
914612-23-0.mol
MSDS File:
SDS
Modify Date:
2023/11/6 16:23:02

6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine Properties

Boiling point 396.6±42.0 °C(Predicted)
Density 1.273±0.06 g/cm3(Predicted)
storage temp. under inert gas (nitrogen or Argon) at 2-8°C
pka 5.01±0.20(Predicted)
InChI InChI=1S/C14H14ClN3/c15-14-12-9-18(7-6-13(12)16-10-17-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKey RPJAAZOTUXKSEV-UHFFFAOYSA-N
SMILES C1=NC(Cl)=C2CN(CC3=CC=CC=C3)CCC2=N1

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine Chemical Properties,Uses,Production

Synthesis

A mixture of 6-benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one (5.0 g, 0.02 mol), phosphoryl chloride(3.30 mL, 0.035 mol), acetonitrile (80 mL) and DMF (catalytic amount) was heated to at 70° C for 1 hour. The mixture was reduced in vacuo and the remaining black residue was taken up in dichloromethane (250 ml) and poured over ice. The mixture was carefully neutralized with the addition of solid sodium bicarbonate. The layers were separated and the organic dried over sodium sulfate and reduced in vacuo. The mixture was chromatographed using an ethyl acetate: hexanes gradient on an isco flash chromatography system. The combined pure fractions were reduced in vacuo to yield 6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine as a yellow oil.

6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine Preparation Products And Raw materials

Raw materials

Preparation Products

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6-BENZYL-4-CHLORO-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE -BENZYL-4-CHLORO-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE 6-Benzyl-4-chloro-5,6,7,8... 6-benzyl-4-chloro-5 6-benzyl-4-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyriMidine CIVENTICHEM CV-5309 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 6-BENZYL-4-CHLORO-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE ISO 9001:2015 REACH Pyrido[4,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-6-(phenylmethyl)- 914612-23-0 pyrimidine Heterocycle-Pyrimidine series