4-Cyano-4'-octylbiphenyl

Base Information

• Chemical Name: 4-Cyano-4'-octylbiphenyl
• CAS No.: 52709-84-9
• Deprecated CAS: 121479-48-9
• Molecular Formula: C21H25N
• Molecular Weight: 291.436
• Hs Code.: 29269090
• European Community (EC) Number: 258-120-6
• UNII: KLS5T77XPV
• DSSTox Substance ID: DTXSID5068786
• Nikkaji Number: J149.511I
• Wikidata: Q72458696
• Mol file: 52709-84-9.mol

Synonyms:4'-octyl-4-cyanobiphenyl;4-n-octyl-4'-cyanobiphenyl

Chemical Property of 4-Cyano-4'-octylbiphenyl

Chemical Property:

• Appearance/Colour: liquid crystal
• Melting Point: 20-22℃
• Boiling Point: 433.9 °C at 760 mmHg
• Flash Point: 217.7 °C
• PSA: 23.79000
• Density: 1 g/cm³
• LogP: 6.12828
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 291.198699802
• Heavy Atom Count: 22
• Complexity: 323

Purity/Quality:

99% ^*data from raw suppliers

4-Cyano-4’-octylbiphenyl ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitriles
• Canonical SMILES: CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
• Uses: Monolayer films of the LCs deposited onto highly ordered pyrolytic graphite, these self-assembled films display a wide variety of structural forms. Intermediates of Liquid Crystals

Technology Process of 4-Cyano-4'-octylbiphenyl

There total 9 articles about 4-Cyano-4'-octylbiphenyl 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: 88.0%

4-bromo-4′-octyl-1,1′-biphenyl (63619-61-4) → 4-octyl-4'-cyanobiphenyl (52709-84-9,121479-48-9)

Guidance literature:

With iodophenylbis(triphenylphosphine)palladium; In N,N-dimethyl-formamide; for 2h; Heating;

Reference yield: 83.0%

4'-Octyl-biphenyl-4-carbaldehyde oxime (93972-16-8) → 4-octyl-4'-cyanobiphenyl (52709-84-9,121479-48-9)

Guidance literature:

With acetic anhydride; for 2h; Heating;

Reference yield:

biphenyl (92-52-4,1594-86-1) → 4-octyl-4'-cyanobiphenyl (52709-84-9,121479-48-9)

Guidance literature:

Multi-step reaction with 4 steps

1: AlCl₃ / CH₂Cl₂ / 5 h / Ambient temperature

2: 1) hydrazine hydrate, 2) KOH / 1) diethylene glycol, 130 deg C, 1 h, 2) diethylene glycol, 130 deg C, 2 h, then 160 deg C, 3 h

3: 1) TiCl₄, 2) hydroxylamine hydrochloride, pyridine / 1) CH₂Cl₂, 0 deg C, 30 min, 2) ethanol, reflux, 2 h

4: 83 percent / acetic anhydride / 2 h / Heating

With pyridine; potassium hydroxide; aluminium trichloride; hydroxylamine hydrochloride; acetic anhydride; titanium tetrachloride; hydrazine hydrate; In dichloromethane;

upstream raw materials:

4'-Octyl-biphenyl-4-carbaldehyde oxime

4-bromo-4′-octyl-1,1′-biphenyl

biphenyl

1-biphenyl-4-yl-octan-1-one

Downstream raw materials:

PtCl₂(CH₃(CH₂)7(C₆H₄)2CN)2

4-n-octylbiphenyl-4'-carboxylic acid

Refernces

• 1、 Ruolene, Yu. I.,Adomenas, P. V.,Sirutkaitis, R. A.,Denis, G. I.. "SYNTHESIS OF 4-ALKYL-4'-CYANOBIPHENYLS". . p. 1187 - 1191. Retrieved 2007/10/02.