4-(5-Octylpyrimidin-2-yl)phenyl decanoate

Base Information

• Chemical Name: 4-(5-Octylpyrimidin-2-yl)phenyl decanoate
• CAS No.: 58415-94-4
• Molecular Formula: C28H42N2O2
• Molecular Weight: 438.64500
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID40389563
• Wikidata: Q82185466
• Mol file: 58415-94-4.mol

Synonyms:4-(5-octylpyrimidin-2-yl)phenyl decanoate;58415-94-4;[4-(5-octylpyrimidin-2-yl)phenyl] decanoate;4-(5-OCTYL-2-PYRIMIDINYL)PHENYL DECANOATE;2-[4-(n-Nonylcarboxy)-phenyl]-5-n-octyl-pyrimidine;2-[4-(N-Nonylcarboxy)-phenyl)-5-N-octyl-pyrimidine;ChemDiv1_019293;SCHEMBL9434730;Decanoic acid 4-(5-octyl-pyrimidin-2-yl)-phenyl ester;HMS641M21;DTXSID40389563;MFCD00799390;STK098798;AKOS000508291;n-Decanoic acid 4-(5-n-octylpyrimidin-2-yl)phenyl ester

Chemical Property of 4-(5-Octylpyrimidin-2-yl)phenyl decanoate

Chemical Property:

• Boiling Point: 501.0±42.0 °C(Predicted)
• PKA: 1.31±0.22(Predicted)
• PSA: 52.08000
• Density: 0.990±0.06 g/cm3(Predicted)
• LogP: 8.09270
• XLogP3: 9.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 438.324628587
• Heavy Atom Count: 32
• Complexity: 454

Purity/Quality:

99%min ^*data from raw suppliers

2-[4-(N-NONYLCARBOXY)-PHENYL]-5-N-OCTYL-PYRIMIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCCCC

Technology Process of 4-(5-Octylpyrimidin-2-yl)phenyl decanoate

There total 1 articles about 4-(5-Octylpyrimidin-2-yl)phenyl decanoate 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:

→ 1-decanoyloxy-4-(5-octyl-pyrimidin-2-yl)-benzene (58415-94-4)

Guidance literature:

5-n-Octyl-2-<4-hydroxyphenyl>-pyrimidin, Caprinsaeurechlorid;