4-Chloropyrido[3,4-d]pyrimidine

Base Information

• Chemical Name: 4-Chloropyrido[3,4-d]pyrimidine
• CAS No.: 51752-67-1
• Molecular Formula: C7H4ClN3
• Molecular Weight: 165.582
• Hs Code.: 2933990090
• European Community (EC) Number: 859-760-4
• DSSTox Substance ID: DTXSID60483456
• Wikidata: Q72458807
• Mol file: 51752-67-1.mol

Synonyms:4-Chloropyrido[3,4-d]pyrimidine;51752-67-1;Pyrido[3,4-d]pyrimidine, 4-chloro-;4-chloro-pyrido[3,4-d]pyrimidine;MFCD09999184;4-chloropyrido(3,4-d)pyrimidine;SCHEMBL244857;DTXSID60483456;UKTHPAHJCQLABU-UHFFFAOYSA-N;AMY23618;CS-D0276;AKOS006304979;PB19089;DS-10611;SY039396;FT-0645570;EN300-92227;A18829;J-515195;F8880-6273;Z1198269948

Chemical Property of 4-Chloropyrido[3,4-d]pyrimidine

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 0.000776mmHg at 25°C
• Melting Point: 108-110 °C
• Refractive Index: 1.674
• Boiling Point: 316.1 °C at 760 mmHg
• PKA: 2.37±0.30(Predicted)
• Flash Point: 174.3 °C
• PSA: 38.67000
• Density: 1.438 g/cm³
• LogP: 1.67820
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 165.0093748
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Chloropyrido[3,4-d]pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC2=C1C(=NC=N2)Cl
• Uses: 4-Chloropyrido[3,4-d]pyrimidine is a reactant used in the synthesis of isomeric 4-substituted aminopyrido[4,3-d]pyrimidines with cytokinin activity.

Technology Process of 4-Chloropyrido[3,4-d]pyrimidine

There total 7 articles about 4-Chloropyrido[3,4-d]pyrimidine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.4%

4-Hydroxypyrido<3,4-d>pyrimidin (19178-25-7) → 4-chloro-pyrido[3,4-d]pyrimidine (51752-67-1)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; at 90 ℃; for 1h;

Reference yield: 65.0%

pyrido-<3,4-d>pyrimidin-4(3H)-one (19178-25-7) → 4-chloro-pyrido[3,4-d]pyrimidine (51752-67-1)

Guidance literature:

With triethylamine; trichlorophosphate; In benzene; for 18h; Heating;

Reference yield: 55.0%

pyrido(3,4-d)pyrimidin-4(3H)-one (19178-25-7) → 4-chloro-pyrido[3,4-d]pyrimidine (51752-67-1)

Guidance literature:

With pyridine; In trichlorophosphate; for 1h; Heating;

DOI:10.1007/BF00798617

upstream raw materials:

pyrido-<3,4-d>pyrimidin-4(3H)-one

pyrido(3,4-d)pyrimidin-4(3H)-one

4-Hydroxypyrido<3,4-d>pyrimidin

3-Aminopyridine-4-carboxylic acid

Downstream raw materials:

(3ethynyl-phenyl)-pyrido[3,4-d]pyrimidin-4-yl-amine hydrochloride

(3-chloro-phenyl)-(pyrido[3,4-d]pyrimidin-4-yl)-amine

4-[2-(2-fluoro-phenyl)-[1,8]naphthyridin-4-yl]-pyrido[3,4-d]pyrimidine

Refernces

• 1、 -. "Compounds". Page/Page column 30. . Retrieved 2008/06/13.
• 2、 Nishikawa, Shiro,Kumazawa, Zenzaburo,Kashimura, Naoki,Maki, Shinji,Nishikimi, Yoshio. "Synthesis and Cytokinin Activity of 4- and 2,4-Substituted Pyridopyrimidines". . p. 495 - 498. Retrieved 2007/10/02.