5-(3-Fluorophenyl)pyrimidine

Base Information

Chemical Name:5-(3-Fluorophenyl)pyrimidine
CAS No.:68049-20-7
Molecular Formula:C10H7FN2
Molecular Weight:174.177
Hs Code.:
ChEMBL ID:CHEMBL3818904
DSSTox Substance ID:DTXSID90499000
Nikkaji Number:J2.247.306I
Wikidata:Q82349415

Synonyms:5-(3-Fluorophenyl)pyrimidine;68049-20-7;5-(3-fluorophenyl)-pyrimidine;SCHEMBL2997687;CHEMBL3818904;Thiocyanic acid, isopropyl ester;DTXSID90499000;VGNCCMMLSOCGRL-UHFFFAOYSA-N;AKOS006286945;FT-0692614

Suppliers and Price of 5-(3-Fluorophenyl)pyrimidine

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
Packaging
price

American Custom Chemicals Corporation
5-(3-FLUOROPHENYL)PYRIMIDINE 95.00%
5MG
$ 497.00

Alichem
5-(3-Fluorophenyl)pyrimidine
1g
$ 1923.04

Alichem
5-(3-Fluorophenyl)pyrimidine
500mg
$ 1271.49

Total 3 raw suppliers

Chemical Property of 5-(3-Fluorophenyl)pyrimidine

Chemical Property:

Vapor Pressure:0.002mmHg at 25°C
Boiling Point:298.979oC at 760 mmHg
Flash Point:134.618oC
PSA：25.78000
Density:1.198g/cm3
LogP:2.28270
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:174.05932639
Heavy Atom Count:13
Complexity:157

Purity/Quality:

98% ^*data from raw suppliers

5-(3-FLUOROPHENYL)PYRIMIDINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)F)C2=CN=CN=C2

Technology Process of 5-(3-Fluorophenyl)pyrimidine

There total 3 articles about 5-(3-Fluorophenyl)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: 82.0%

: 4595-59-9
5-bromopyrimidine

: 17318-03-5
bromo(3-fluorophenyl)magnesium

: 68049-20-7
5-(3-fluorophenyl)pyrimidine

Guidance literature:: With 1-ethyl-2-pyrrolidinone; dmap; phosphonic acid diethyl ester; nickel dichloride; zinc dibromide; In tetrahydrofuran; at 20 ℃; for 1h;
DOI:10.1021/ol051615+

Reference yield: 61.0%

: 4595-59-9
5-bromopyrimidine

: 768-35-4
3-fluorophenylboronic acid

: 68049-20-7
5-(3-fluorophenyl)pyrimidine

Guidance literature:: With potassium phosphate; trans-diacetylpalladium(II) bis(dicyclohexylamine); In ethanol; at 20 ℃; for 24h;
DOI:10.1016/j.bmc.2016.06.020