8-Chloro-2-(methylthio)pyrimido[5,4-d]pyrimidine

Base Information

• Chemical Name: 8-Chloro-2-(methylthio)pyrimido[5,4-d]pyrimidine
• CAS No.: 176637-10-8
• Molecular Formula: C7H5ClN4S
• Molecular Weight: 212.662
• Hs Code.: 2933990090
• European Community (EC) Number: 960-372-3
• DSSTox Substance ID: DTXSID20571101
• Wikidata: Q82458710
• Mol file: 176637-10-8.mol

Synonyms:8-Chloro-2-(methylthio)pyrimido[5,4-d]pyrimidine;176637-10-8;4-chloro-6-methylsulfanylpyrimido[5,4-d]pyrimidine;Pyrimido[5,4-d]pyrimidine, 8-chloro-2-(methylthio)-;4-chloro-6-(methylthio)pyrimido[5,4-d]pyrimidine;MFCD00227587;4-chloro-6-methylthio-pyrimido[5,4-d]pyrimidine;SCHEMBL2990723;DTXSID20571101;YBAUXEUJXJTKCH-UHFFFAOYSA-N;BHA63710;AKOS016009975;CS-11233;SY011322;A3921;CS-0130449;4-chloro-6-methylthiopyrimido[5,4-d]pyrimidine;A812196;8-Chloro-2-(methylsulfanyl)pyrimido[5,4-d]pyrimidine;8-Chloro-2-methylsulfanyl-pyrimido[5,4-d]pyrimidine;4-chloranyl-6-methylsulfanyl-pyrimido[5,4-d]pyrimidine;8-Chloro-2-(methylthio)pyrimido[5 pound not4-d]pyrimidine

Chemical Property of 8-Chloro-2-(methylthio)pyrimido[5,4-d]pyrimidine

Chemical Property:

• PSA: 76.86000
• LogP: 1.79510
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 211.9923450
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

8-chloro-2-(methylthio)pyrimido[5,4-d]pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC=C2C(=N1)C(=NC=N2)Cl

Technology Process of 8-Chloro-2-(methylthio)pyrimido[5,4-d]pyrimidine

There total 2 articles about 8-Chloro-2-(methylthio)pyrimido[5,4-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: 60.0%

4-hydroxy-6-methylthio-pyrimido[5,4-d]pyrimidine (98550-19-7) → 4-chloro-6-methylthio-pyrimido[5,4-d]pyrimidine (176637-10-8)

Guidance literature:

With trichlorophosphate; In toluene; at 115 ℃; for 15h;

Reference yield:

→ 4-chloro-6-methylthio-pyrimido[5,4-d]pyrimidine (176637-10-8)

Guidance literature:

Reference yield:

4-chloro-6-methylthio-pyrimido[5,4-d]pyrimidine (176637-10-8) + C9H12F2N2O2S*ClH (1383745-19-4) → C16H16F2N6O2S2 (1391916-05-4)

Guidance literature:

With acetic acid; In methanol; at 50 ℃; for 2h;

upstream raw materials:

4-hydroxy-6-methylthio-pyrimido[5,4-d]pyrimidine

Downstream raw materials:

4-[(3-Chloro-4-fluoro-phenyl)amino]-6-methylthio-pyrimido[5,4-d]pyrimidine

C₁₆H₁₅N₅O₂S

C₁₅H₁₃N₅O₂S

C₂₃H₁₉F₃N₆O₂S