2-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}-N,N-dimethylacetamide

Base Information

• Chemical Name: 2-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}-N,N-dimethylacetamide
• CAS No.: 5558-59-8
• Molecular Formula: C₁₅H₂₁N
• Molecular Weight: 215.338
• DSSTox Substance ID: DTXSID80366494
• Wikidata: Q82151731
• ChEMBL ID: CHEMBL1865748

Synonyms:5558-59-8;MLS001018852;CHEMBL1865748;DTXSID80366494;HMS2705L23;AKOS016994111;SMR000385386;Z16507581;2-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}-N,N-dimethylacetamide

Chemical Property of 2-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}-N,N-dimethylacetamide

Chemical Property:

• Vapor Pressure: 2.49E-11mmHg at 25°C
• Boiling Point: 530.3°Cat760mmHg
• Flash Point: 274.5°C
• Density: 1.342g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 331.07907603
• Heavy Atom Count: 23
• Complexity: 418

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)COC1=C2C(=CSC2=NC=N1)C3=CC=C(C=C3)F

Technology Process of 2-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}-N,N-dimethylacetamide

There total 2 articles about 2-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}-N,N-dimethylacetamide 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:

2-phenylbutanenitrile (769-68-6) + i-pentyl bromide (107-82-4) → 5-methyl-2-phenylhexanenitrile (5558-34-9) + 2-Ethyl-5-methyl-2-phenyl-hexansaeure-nitril (5558-59-8)

Guidance literature:

With ammonia; sodium amide; iron(III) chloride; In diethyl ether;

DOI:10.1016/0040-4020(68)89019-2

Reference yield:

→ 2-Ethyl-5-methyl-2-phenyl-hexansaeure-nitril (5558-59-8)

Guidance literature:

2-Phenyl-buttersaeure-nitril, wss. NaOH, Isopentylbromid, Triethyl-benzyl-ammoniumchlorid;

upstream raw materials:

2-phenylbutanenitrile

i-pentyl bromide

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