Thieno[2,3-d]pyrimidine

Base Information

• Chemical Name: Thieno[2,3-d]pyrimidine
• CAS No.: 272-24-2
• Molecular Formula: C6H4 N2 S
• Molecular Weight: 136.17436
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90481268
• Wikidata: Q82316582
• Mol file: 272-24-2.mol

Synonyms:thieno(2,3-d)pyrimidine

Chemical Property of Thieno[2,3-d]pyrimidine

Chemical Property:

• Melting Point: 50 °C
• Boiling Point: 246.0±13.0 °C(Predicted)
• PKA: 1.25±0.30(Predicted)
• PSA: 54.02000
• Density: 1.368±0.06 g/cm3(Predicted)
• LogP: 1.69130
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 136.00951931
• Heavy Atom Count: 9
• Complexity: 107

Purity/Quality:

NLT 98% ^*data from raw suppliers

Thieno[2,3-d]pyrimidine 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC2=NC=NC=C21

Technology Process of Thieno[2,3-d]pyrimidine

There total 3 articles about Thieno[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: 95.0%

4-chloro-5-(trimethylsilylethynyl)pyrimidine (111079-22-2) → Thieno<2,3-d>pyrimidine (272-24-2)

Guidance literature:

With hydrogen sulfide; sodium ethanolate; In ethanol; for 1.5h; Heating;

Reference yield: 80.0%

4-chlorothieno[2,3-d]pyrimidine (14080-59-2) → Thieno<2,3-d>pyrimidine (272-24-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; sodium hydrogencarbonate; In methanol; at 20 ℃; for 48h;

DOI:10.1021/acs.orglett.0c00143

Reference yield:

thieno[2,3-d]pyrimidin-4-ylhydrazine (14080-58-1) → Thieno<2,3-d>pyrimidine (272-24-2)

Guidance literature:

With sodium ethanolate; In ethanol; Heating;

upstream raw materials:

4-chlorothieno[2,3-d]pyrimidine

thieno[2,3-d]pyrimidin-4-ylhydrazine

4-chloro-5-(trimethylsilylethynyl)pyrimidine

Downstream raw materials:

6-Brom-thieno<2,3-d>pyrimidin

Refernces

• 1、 Bergonzini, Giulia,Brandt, Peter,Fricke, Florian,Johansson, Magnus J.,K?nig, Burkhard,Schmalzbauer, Matthias,Svejstrup, Thomas D.. "Redox-Neutral Photocatalytic C?H Carboxylation of Arenes and Styrenes with CO2". supporting information. p. 2658 - 2672. Retrieved 2020/10/07.