Benzo[4,5]thieno[2,3-d]pyrimidin-4-ol

Base Information

• Chemical Name: Benzo[4,5]thieno[2,3-d]pyrimidin-4-ol
• CAS No.: 18774-49-7
• Molecular Formula: C10H6N2OS
• Molecular Weight: 202.236
• European Community (EC) Number: 869-214-7
• Mol file: 18774-49-7.mol

Synonyms:18774-49-7;Benzo[4,5]thieno[2,3-d]pyrimidin-4-ol;BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE;3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(13),2(7),5,9,11-pentaen-3-one;[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one;SCHEMBL2689332;SCHEMBL12903904;UELJJSQADCDBMU-UHFFFAOYSA-N;MFCD00456555;benzothieno[2,3-d]pyrimidin-4(1h)-one;AS-39171;CS-0214848;FT-0707688;EN300-198876;4-oxo-3,4-dihydrobenzothieno[2,3-d]pyrimidine;8-Thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5,10,12-pentaen-3-one;8-thia-4,6-diazatricyclo[7.4.0.0?,?]trideca-1(13),2(7),5,9,11-pentaen-3-one;8-thia-4,6-diazatricyclo[7.4.0.0[2,7]]trideca-1(9),2(7),3,5,10,12-hexaen-3-ol;8-thia-4,6-diazatricyclo[7.4.0.0[2,7]]trideca-1(9),2,4,6,10,12-hexaen-3-ol

Chemical Property of Benzo[4,5]thieno[2,3-d]pyrimidin-4-ol

Chemical Property:

• Melting Point: 258-260 °C(Solv: ethanol (64-17-5))
• Boiling Point: 422.5±37.0 °C(Predicted)
• PKA: 1.32±0.20(Predicted)
• PSA: 74.25000
• Density: 1.56±0.1 g/cm3(Predicted)
• LogP: 2.55010
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 202.02008399
• Heavy Atom Count: 14
• Complexity: 292

Purity/Quality:

99% ^*data from raw suppliers

Benzo[4,5]thieno[2,3-D]pyrimidin-4(3H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(S2)N=CNC3=O

Technology Process of Benzo[4,5]thieno[2,3-d]pyrimidin-4-ol

There total 11 articles about Benzo[4,5]thieno[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: 83.0%

ethyl 2-amino-1-benzothiophene-3-carboxylate (7311-95-7) + formamide (77287-34-4,77287-35-5,60100-09-6) → benzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (18774-49-7)

Guidance literature:

Reflux;

DOI:10.1016/j.ejmech.2016.07.035

Reference yield: 72.0%

ethyl 2-amino-1-benzothiophene-3-carboxylate (7311-95-7) → 8-thia-4,6-diazatricyclo[7.4.0.0[2,7]]trideca-1(9),2(7),3,5,10,12-hexaen-3-ol (18774-49-7)

Guidance literature:

ethyl 2-amino-1-benzothiophene-3-carboxylate; With formamide; at 100 ℃; for 3h;

With water; Cooling;

Reference yield: 72.0%

ethyl 2-amino-1-benzothiophene-3-carboxylate (7311-95-7) + formamide (77287-34-4,77287-35-5,60100-09-6) → 8-thia-4,6-diazatricyclo[7.4.0.0[2,7]]trideca-1(9),2(7),3,5,10,12-hexaen-3-ol (18774-49-7)

Guidance literature:

at 100 ℃; for 3h;

upstream raw materials:

ethyl 2-amino-1-benzothiophene-3-carboxylate

formamide

ethyl 3-aminobenzothiophene-2-carboxylate

ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Downstream raw materials:

3-chloro-8-thia-4,6-diazatricyclo[7.4.0.0[2,7]]trideca-1⁽⁹⁾,2,4,6,10,12-hexaene

N-benzylbenzo[4,5]thieno[2,3-d]pyrimidin-4-amine

benzo[4,5]thieno[2,3-d]pyrimidin-4-yl-(3-fluoro-phenyl)-amine