4-Phenoxythieno[2,3-d]pyrimidine

Base Information

• Chemical Name: 4-Phenoxythieno[2,3-d]pyrimidine
• CAS No.: 14080-54-7
• Molecular Formula: C₁₂H₈N₂OS
• Molecular Weight: 228.274
• DSSTox Substance ID: DTXSID901327678
• Nikkaji Number: J2.711.152A
• ChEMBL ID: CHEMBL1533850

Synonyms:4-phenoxythieno[2,3-d]pyrimidine;14080-54-7;MLS001006703;SCHEMBL3977779;CHEMBL1533850;AYOZUERHDBIGSH-UHFFFAOYSA-N;DTXSID901327678;HMS1784O21;HMS2714A06;AKOS001044295;SMR000349620;Z31208578

Chemical Property of 4-Phenoxythieno[2,3-d]pyrimidine

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 228.03573406
• Heavy Atom Count: 16
• Complexity: 233

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=C3C=CSC3=NC=N2

Technology Process of 4-Phenoxythieno[2,3-d]pyrimidine

There total 4 articles about 4-Phenoxythieno[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: 87.0%

3-(thieno[2,3-d]pyrimidin-4-yloxy)-3H-1,2,3-triazolo[4,5-b]pyridine + phenylboronic acid (98-80-6) → 4-phenoxythieno[2,3-d]pyrimidine (14080-54-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; oxygen; caesium carbonate; In 1,2-dimethoxyethane; at 45 ℃; for 10h;

Reference yield: 87.0%

→ 4-phenoxythieno[2,3-d]pyrimidine (14080-54-7)

Guidance literature:

Reference yield:

thieno[2,3-d]pyrimidin-4(3H)one (14080-50-3) → 4-phenoxythieno[2,3-d]pyrimidine (14080-54-7)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃, Py

With pyridine; trichlorophosphate;

upstream raw materials:

4-chlorothieno[2,3-d]pyrimidine

sodium phenoxide

thieno[2,3-d]pyrimidin-4(3H)one

phenylboronic acid

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