2-Fluoro-6-(4-methylphenoxy)benzonitrile

Base Information

Chemical Name:2-Fluoro-6-(4-methylphenoxy)benzonitrile
CAS No.:175204-08-7
Molecular Formula:C14H10FNO
Molecular Weight:227.238
Hs Code.:2926909090
European Community (EC) Number:640-354-9
DSSTox Substance ID:DTXSID00372037
Wikidata:Q82159617
ChEMBL ID:CHEMBL4546909
Mol file:175204-08-7.mol

Synonyms:2-fluoro-6-(4-methylphenoxy)benzonitrile;175204-08-7;2-Fluoro-6-(p-tolyloxy)benzonitrile;CDS1_000929;Maybridge1_005681;Benzonitrile,2-fluoro-6-(4-methylphenoxy)-;DivK1c_001969;SCHEMBL2072019;CHEMBL4546909;HMS557K05;DTXSID00372037;MFCD00068203;AKOS015853384;PS-7758;CS-0315100;FT-0612378;A811901

Suppliers and Price of 2-Fluoro-6-(4-methylphenoxy)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
Packaging
price

TRC
2-Fluoro-6-(4-methylphenoxy)benzonitrile
100mg
$ 60.00

SynQuest Laboratories
2-Fluoro-6-(4-methylphenoxy)benzonitrile 97%
50 mg
$ 24.00

SynQuest Laboratories
2-Fluoro-6-(4-methylphenoxy)benzonitrile 97%
1 g
$ 42.00

SynQuest Laboratories
2-Fluoro-6-(4-methylphenoxy)benzonitrile 97%
5 g
$ 176.00

Matrix Scientific
2-Fluoro-6-(4-methylphenoxy)benzonitrile
5g
$ 138.00

Matrix Scientific
2-Fluoro-6-(4-methylphenoxy)benzonitrile
1g
$ 34.00

Crysdot
2-Fluoro-6-(p-tolyloxy)benzonitrile 95+%
25g
$ 373.00

Apolloscientific
2-Fluoro-6-(4-methylphenoxy)benzonitrile 97%
1g
$ 38.00

Apolloscientific
2-Fluoro-6-(4-methylphenoxy)benzonitrile 97%
50mg
$ 22.00

Apolloscientific
2-Fluoro-6-(4-methylphenoxy)benzonitrile 97%
5g
$ 160.00

Total 24 raw suppliers

Chemical Property of 2-Fluoro-6-(4-methylphenoxy)benzonitrile

Chemical Property:

Vapor Pressure:0.00027mmHg at 25°C
Melting Point:93-95°C
Refractive Index:1.582
Boiling Point:323 °C at 760 mmHg
Flash Point:149.1 °C
PSA：33.02000
Density:1.21 g/cm³
LogP:3.79808
Storage Temp.:2-8°C
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:227.074642105
Heavy Atom Count:17
Complexity:290

Purity/Quality:

99%, ^*data from raw suppliers

2-Fluoro-6-(4-methylphenoxy)benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 20/21/22-36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)OC2=C(C(=CC=C2)F)C#N

Technology Process of 2-Fluoro-6-(4-methylphenoxy)benzonitrile

There total 3 articles about 2-Fluoro-6-(4-methylphenoxy)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: 45.0%

: C₂₀H₂₂FN₃O⁽²⁺⁾*2BF₄^(1-)

: 5158-46-3
methylzinc chloride

: 175204-08-7
2-fluoro-6-(p-tolyloxy)benzonitrile

Guidance literature:: With 1-methyl-pyrrolidin-2-one; bis(tricyclohexylphosphine)nickel(II) dichloride; tetrabutyl-ammonium chloride; In tetrahydrofuran; at 50 ℃; for 20h; Sealed tube;
DOI:10.1002/anie.201804628

Reference yield:

: 106-44-5
p-cresol

: 1897-52-5
2,6 difluorobenzonitrile

: 175204-08-7
2-fluoro-6-(p-tolyloxy)benzonitrile

Guidance literature:: With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃;
DOI:10.1021/jm061475p

Reference yield:

: 175204-06-5
2-phenoxy-6-fluorobenzonitrile

: 175204-08-7
2-fluoro-6-(p-tolyloxy)benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: C₂₀H₂₈N₄O₂Pd⁽²⁺⁾*2BF₄^(1-); tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate / acetonitrile / 24 h / 23 °C / Sealed tube

2: 1-methyl-pyrrolidin-2-one; bis(tricyclohexylphosphine)nickel(II) dichloride; tetrabutyl-ammonium chloride / tetrahydrofuran / 20 h / 50 °C / Sealed tube

With 1-methyl-pyrrolidin-2-one; bis(tricyclohexylphosphine)nickel(II) dichloride; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; C₂₀H₂₈N₄O₂Pd⁽²⁺⁾*2BF₄^(1-); tetrabutyl-ammonium chloride; In tetrahydrofuran; acetonitrile; 2: |Negishi Coupling;
DOI:10.1002/anie.201804628