2-Phenylthieno[2,3-d]pyrimidin-4-ol

Base Information

• Chemical Name: 2-Phenylthieno[2,3-d]pyrimidin-4-ol
• CAS No.: 56843-76-6
• Molecular Formula: C12H8N2OS
• Molecular Weight: 228.274
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10480834
• Nikkaji Number: J3.278.259K
• Wikidata: Q72498946
• Mol file: 56843-76-6.mol

Synonyms:2-phenylthieno[2,3-d]pyrimidin-4-ol;56843-76-6;2-phenyl-3H-thieno[2,3-d]pyrimidin-4-one;Thieno[2,3-d]pyrimidin-4(1H)-one, 2-phenyl-;DTXSID10480834;AKOS005146459;AM20040733;FT-0702237;A15657;Z55164731

Chemical Property of 2-Phenylthieno[2,3-d]pyrimidin-4-ol

Chemical Property:

• Vapor Pressure: 4.82E-10mmHg at 25°C
• Melting Point: 245-246℃
• Boiling Point: 497.7oC at 760 mmHg
• Flash Point: 254.8oC
• PSA: 74.25000
• Density: 1.41g/cm3
• LogP: 3.06390
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 228.03573406
• Heavy Atom Count: 16
• Complexity: 323

Purity/Quality:

97% ^*data from raw suppliers

2-Phenylthieno[2,3-d]pyrimidin-4-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=C(C=CS3)C(=O)N2

Technology Process of 2-Phenylthieno[2,3-d]pyrimidin-4-ol

There total 2 articles about 2-Phenylthieno[2,3-d]pyrimidin-4-ol 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:

N-(3-cyanothiophen-2-yl)benzamide (55654-17-6) → 2-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (56843-76-6)

Guidance literature:

With sodium hydroxide; Heating;

Reference yield:

2-benzamidothiophene-3-carboxamide (55654-16-5) → 2-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (56843-76-6)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; at 90 ℃; for 5h;

DOI:10.1007/BF00906773

Reference yield: 100.0%

2-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (56843-76-6) → 4-chloro-2-phenylthieno[2,3-d]pyrimidine (56843-80-2)

Guidance literature:

With trichlorophosphate; for 4h; Reflux;

DOI:10.1039/b915274a

upstream raw materials:

2-benzamidothiophene-3-carboxamide

N-(3-cyanothiophen-2-yl)benzamide

Downstream raw materials:

4-chloro-2-phenylthieno[2,3-d]pyrimidine