4-(5-Pentylpyrimidin-2-yl)benzonitrile

Base Information

Chemical Name:4-(5-Pentylpyrimidin-2-yl)benzonitrile
CAS No.:59855-05-9
Deprecated CAS:119467-18-4,64835-55-8,64835-55-8
Molecular Formula:C16H17 N3
Molecular Weight:251.331
Hs Code.:
European Community (EC) Number:261-959-0
DSSTox Substance ID:DTXSID2069367
Nikkaji Number:J29.022J
Wikidata:Q81996229
Mol file:59855-05-9.mol

Synonyms:4-(5-Pentylpyrimidin-2-yl)benzonitrile;59855-05-9;2-(4-cyanophenyl)-5-n-pentylpyrimidine;119467-18-4;5-Pentyl-2-(p-cyanophenyl)pyrimidine;Benzonitrile, 4-(5-pentyl-2-pyrimidinyl)-;EINECS 261-959-0;2-(4-Cyanophenyl)-5-N-pentylpyrimidin;5-n-pentyl-2-(4-cyanophenyl)pyrimidine;SCHEMBL3088009;DTXSID2069367;RO-CM-7035;CCG-40761;AKOS024389723;FT-0714194;4-[5-Pentyl-2-pyrimidinyl]benzenecarbonitrile;SR-01000003369;SR-01000003369-1;SR-01000003369-2

Suppliers and Price of 4-(5-Pentylpyrimidin-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-Pentylpyrimidin-2-yl)benzonitrile

Chemical Property:

Vapor Pressure:9.08E-05mmHg at 25°C
Boiling Point:339.6°C at 760 mmHg
PKA:0.57±0.22(Predicted)
Flash Point:119.4°C
PSA：49.57000
Density:1.1g/cm³
LogP:3.74798
XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:251.142247555
Heavy Atom Count:19
Complexity:290

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C#N

Technology Process of 4-(5-Pentylpyrimidin-2-yl)benzonitrile

There total 1 articles about 4-(5-Pentylpyrimidin-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:

: 59855-05-9
5-n-pentyl-2-(4-cyanophenyl)-pyrimidine

Guidance literature:: 4-Bromverb., CuCN;

Reference yield:

: 59855-05-9
5-n-pentyl-2-(4-cyanophenyl)-pyrimidine

: 5-pentyl-2-(p-carboxyphenyl)pyrimidine iminoether

Guidance literature:: Multi-step reaction with 2 steps

1: 59 percent / HCl(g) / benzene / 24 h / 20 °C

2: 20percent NaOH / CHCl₃ / 0.17 h

With hydrogenchloride; sodium hydroxide; In chloroform; benzene;
DOI:10.1007/BF00473867

Reference yield:

: 59855-05-9
5-n-pentyl-2-(4-cyanophenyl)-pyrimidine

: 5-pentyl-5'-hydroxy-1,4-bis-(pyrimidin-2-yl)benzene

Guidance literature:: Multi-step reaction with 5 steps

1: 59 percent / HCl(g) / benzene / 24 h / 20 °C

2: 20percent NaOH / CHCl₃ / 0.17 h

3: 90 percent / NH₄Cl / ethanol / 2 h / Heating

4: 56 percent / NaOMe / methanol / 5 h / Heating

5: 28 percent / 2M H₂SO₄ / 3 h / Heating

With hydrogenchloride; sodium hydroxide; sulfuric acid; sodium methylate; ammonium chloride; In methanol; ethanol; chloroform; benzene;
DOI:10.1007/BF00473867