4-Chloro-2-methyl-6-phenylthieno[2,3-d]pyrimidine

Base Information

• Chemical Name: 4-Chloro-2-methyl-6-phenylthieno[2,3-d]pyrimidine
• CAS No.: 125660-99-3
• Molecular Formula: C₁₃H₉ClN₂S
• Molecular Weight: 260.747
• European Community (EC) Number: 869-338-1
• Mol file: 125660-99-3.mol

Synonyms:4-chloro-2-methyl-6-phenylthieno[2,3-d]pyrimidine;125660-99-3;MFCD02329485;4-Chloro-2-methyl-6-phenyl-thieno[2,3-d]pyrimidine;IFLab1_005115;SCHEMBL16652412;HMS1426I11;BBL029669;STK801781;AKOS000116447;BS-14089;EU-0009086;EN300-04850;VU0060983-1;AF-399/40684392;SR-01000471402;SR-01000471402-1;Z56884190;F1174-1604

Chemical Property of 4-Chloro-2-methyl-6-phenylthieno[2,3-d]pyrimidine

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 260.0174972
• Heavy Atom Count: 17
• Complexity: 270

Purity/Quality:

99% ^*data from raw suppliers

4-chloro-2-methyl-6-phenylthieno[2,3-d]pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)Cl

Technology Process of 4-Chloro-2-methyl-6-phenylthieno[2,3-d]pyrimidine

There total 3 articles about 4-Chloro-2-methyl-6-phenylthieno[2,3-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: 80.0%

2-Methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (18593-59-4) → C13H9ClN2S (125660-99-3)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; at 105 ℃;

DOI:10.1016/j.ejmech.2016.03.004

Reference yield:

phenylacetaldehyde (122-78-1) → C13H9ClN2S (125660-99-3)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfur; triethylamine / diethyl ether / 12 h / 20 °C

2: 24 h / 160 - 170 °C

3: phosphorus pentachloride; trichlorophosphate

With phosphorus pentachloride; sulfur; triethylamine; trichlorophosphate; In diethyl ether;

DOI:10.1016/j.ejmech.2010.12.025

Reference yield:

ethyl 2-amino-5-phenylthiophene-3-carboxylate (4815-34-3) → C13H9ClN2S (125660-99-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 24 h / 160 - 170 °C

2: phosphorus pentachloride; trichlorophosphate

With phosphorus pentachloride; trichlorophosphate;

DOI:10.1016/j.ejmech.2010.12.025

upstream raw materials:

ethyl 2-amino-5-phenylthiophene-3-carboxylate

phenylacetaldehyde

2-Methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Downstream raw materials:

3-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]propanoic acid