[1,1'-Biphenyl]-4-carbonitrile, 4'-(dodecyloxy)-

Base Information

Chemical Name:[1,1'-Biphenyl]-4-carbonitrile, 4'-(dodecyloxy)-
CAS No.:57125-50-5
Molecular Formula:C25H33 N O
Molecular Weight:363.543
Hs Code.:
European Community (EC) Number:260-575-0
DSSTox Substance ID:DTXSID2069159
Nikkaji Number:J349.090D
Wikidata:Q81995969
Mol file:57125-50-5.mol

Synonyms:57125-50-5;4-Cyano-4'-dodecoxybiphenyl;4'-Cyano-4-dodecyloxybiphenyl;4-(4-dodecoxyphenyl)benzonitrile;[1,1'-Biphenyl]-4-carbonitrile, 4'-(dodecyloxy)-;12OCB;4'-(DODECYLOXY)-[1,1'-BIPHENYL]-4-CARBONITRILE;EINECS 260-575-0;4'-(dodecyloxy)[1,1'-biphenyl]-4-carbonitrile;(1,1'-Biphenyl)-4-carbonitrile, 4'-(dodecyloxy)-;4-cyano-4'-dodecyloxybiphenyl;4'-(Dodecyloxy)(1,1'-biphenyl)-4-carbonitrile;4'-dodecyloxy-4-cyanobiphenyl;4-dodecyloxy-4'-cyanobiphenyl;SCHEMBL1893734;DTXSID2069159;MFCD01941019;AS-77296;4'-Cyano-4-dodecyloxybiphenyl, >/=98%;4'-DODECYLOXY-4-BIPHENYLCARBONITRILE;C3270;CS-0183038;T71076

Suppliers and Price of [1,1'-Biphenyl]-4-carbonitrile, 4'-(dodecyloxy)-

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
4''-Cyano-4-dodecyloxybiphenyl
100mg
$ 75.00

TCI Chemical
4'-Cyano-4-dodecyloxybiphenyl >98.0%(GC)
1g
$ 188.00

TCI Chemical
4'-Cyano-4-dodecyloxybiphenyl >98.0%(GC)
5g
$ 559.00

American Custom Chemicals Corporation
4'-(DODECYLOXY)[1,1'-BIPHENYL]-4-CARBONITRILE 95.00%
5MG
$ 497.60

AK Scientific
[1,1'-Biphenyl]-4-carbonitrile,4'-(dodecyloxy)-
1g
$ 301.00

Total 11 raw suppliers

Chemical Property of [1,1'-Biphenyl]-4-carbonitrile, 4'-(dodecyloxy)-

Chemical Property:

Boiling Point:503.5°Cat760mmHg
Flash Point:208.2°C
PSA：33.02000
Density:1g/cm³
LogP:7.52498
Solubility.:soluble in Toluene
XLogP3:8.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:13
Exact Mass:363.256214676
Heavy Atom Count:27
Complexity:396

Purity/Quality:

99%, ^*data from raw suppliers

4''-Cyano-4-dodecyloxybiphenyl ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

Technology Process of [1,1'-Biphenyl]-4-carbonitrile, 4'-(dodecyloxy)-

There total 5 articles about [1,1'-Biphenyl]-4-carbonitrile, 4'-(dodecyloxy)- 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: 87.4%

: 19812-93-2
4-Cyano-4'-hydroxybiphenyl

: 143-15-7
1-dodecylbromide

: 57125-50-5
4'-(dodecyloxy)-[1,1'-biphenyl]-4-carbonitrile

Guidance literature:: With potassium carbonate; In acetone; for 35h; Heating;
DOI:10.1039/b411123k

Reference yield: 85.0%

: 123883-51-2
1-bromo-4-dodecyloxybenzene

: 126747-14-6
4-cyanophenylboronic acid

: 57125-50-5
4'-(dodecyloxy)-[1,1'-biphenyl]-4-carbonitrile

Guidance literature:: With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; potassium phosphate; In water; toluene; at 80 ℃; for 8h;
DOI:10.1039/b610666h

Reference yield:

: 126747-14-6
4-cyanophenylboronic acid

: 57125-50-5
4'-(dodecyloxy)-[1,1'-biphenyl]-4-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium phosphate / isopropyl alcohol; water / 15 h / 70 °C / Inert atmosphere

2: potassium carbonate; potassium iodide / acetone / 72 h / Reflux

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium phosphate; potassium carbonate; potassium iodide; In water; isopropyl alcohol; acetone; 1: |Suzuki-Miyaura Coupling / 2: |Williamson Ether Synthesis;
DOI:10.1002/chem.201300587