4-[5-(4-Butylphenyl)pyrimidin-2-yl]benzonitrile

Base Information

Chemical Name:4-[5-(4-Butylphenyl)pyrimidin-2-yl]benzonitrile
CAS No.:63617-61-8
Molecular Formula:C21H19N3
Molecular Weight:313.402
Hs Code.:2933599090
European Community (EC) Number:264-370-7
UNII:VP7CA5Z2M5
DSSTox Substance ID:DTXSID5069968
Nikkaji Number:J29.020C
Wikidata:Q81997104
Mol file:63617-61-8.mol

Synonyms:63617-61-8;4-[5-(4-butylphenyl)pyrimidin-2-yl]benzonitrile;EINECS 264-370-7;5-(p-Butylphenyl)-2-(p-cyanophenyl)-pyrimidine;4-(5-(4-Butylphenyl)pyrimidin-2-yl)benzonitrile;Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]-;Benzonitrile, 4-(5-(4-butylphenyl)-2-pyrimidinyl)-;VP7CA5Z2M5;SCHEMBL6024652;DTXSID5069968;RO-CM-7334;5-(4-Butylphenyl)-2-(4-cyanophenyl)pyrimidine;2-(4-cyanophenyl)-5-(4-n-butylphenyl)pyrimidine;4-[5-(4-butylphenyl)-2-pyrimidinyl]benzonitrile;5-(4-n-butylphenyl)-2-(4-cyanophenyl)pyrimidine;4-[5-(4-Butylphenyl)-2-pyrimidinyl]benzenecarbonitrile

Suppliers and Price of 4-[5-(4-Butylphenyl)pyrimidin-2-yl]benzonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 6 raw suppliers

Chemical Property of 4-[5-(4-Butylphenyl)pyrimidin-2-yl]benzonitrile

Chemical Property:

Vapor Pressure:1.2E-07mmHg at 25°C
Boiling Point:431.4°C at 760 mmHg
Flash Point:140.7°C
PSA：49.57000
Density:1.16g/cm³
LogP:5.02488
XLogP3:5.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:313.157897619
Heavy Atom Count:24
Complexity:402

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Technology Process of 4-[5-(4-Butylphenyl)pyrimidin-2-yl]benzonitrile

There total 1 articles about 4-[5-(4-Butylphenyl)pyrimidin-2-yl]benzonitrile 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:

: 63617-61-8
5-(4-n-butylphenyl)-2-(4-cyanophenyl)-pyrimidine

Guidance literature:: Phenyl-pyrimidinyl-benzoesaeure-Derivat, POCl3 (Schema 2);

Reference yield:

: 63617-61-8
5-(4-n-butylphenyl)-2-(4-cyanophenyl)-pyrimidine

: 5-(4-n-butyl-3-chloro phenyl)-2-(4-n-pentyl phenyl)-pyrimidine

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) Mg / 1.) ether, 30 min, reflux, 2.) ether, 1 h, reflux

2: H₂N-NH₂*H₂O, KOH / bis-(2-hydroxy-ethyl) ether / 1.) 135 deg C, 2 h, 2.) 195 deg C, 4 h

3: Cl₂ / AlCl₃ / CCl₄ / 0 °C

With potassium hydroxide; chlorine; hydrazine hydrate; magnesium; aluminium trichloride; In tetrachloromethane; diethylene glycol;

Reference yield:

: 63617-61-8
5-(4-n-butylphenyl)-2-(4-cyanophenyl)-pyrimidine

: 86503-56-2
5-(4-n-butyl-phenyl)-2-(4-n-pentyl phenyl)-pyrimidine

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) Mg / 1.) ether, 30 min, reflux, 2.) ether, 1 h, reflux

2: H₂N-NH₂*H₂O, KOH / bis-(2-hydroxy-ethyl) ether / 1.) 135 deg C, 2 h, 2.) 195 deg C, 4 h

With potassium hydroxide; hydrazine hydrate; magnesium; In diethylene glycol;