[1,1'-Biphenyl]-4-carbonitrile, 4'-nonyl-

Base Information

• Chemical Name: [1,1'-Biphenyl]-4-carbonitrile, 4'-nonyl-
• CAS No.: 52709-85-0
• Molecular Formula: C22H27N
• Molecular Weight: 305.463
• Hs Code.: 2926909090
• European Community (EC) Number: 258-121-1
• DSSTox Substance ID: DTXSID0068787
• Nikkaji Number: J247.686J
• Wikidata: Q81995550
• Mol file: 52709-85-0.mol

Synonyms:4-Cyano-4'-nonylbiphenyl;52709-85-0;[1,1'-Biphenyl]-4-carbonitrile, 4'-nonyl-;4-(4-nonylphenyl)benzonitrile;4'-NONYL-[1,1'-BIPHENYL]-4-CARBONITRILE;EINECS 258-121-1;(1,1'-Biphenyl)-4-carbonitrile, 4'-nonyl-;9CB;4-Nonyl-4'-cyanobiphenyl;4'-Nonyl(1,1'-biphenyl)-4-carbonitrile;4'-nonyl[1,1'-biphenyl]-4-carbonitrile;4-n-nonyl-4'-cyanobiphenyl;SCHEMBL1890052;4'-nonylbiphenyl-4-carbonitrile;DTXSID0068787;4'-Nonyl-4-biphenylcarbonitrile;4'-nonyl-biphenyl-4-carbonitrile;CCA70985;MFCD00482592;AKOS015917724;C3268;CS-0183040;FT-0714425

Chemical Property of [1,1'-Biphenyl]-4-carbonitrile, 4'-nonyl-

Chemical Property:

• Melting Point: 42°C(lit.)
• Boiling Point: 446.8 °C at 760 mmHg
• Flash Point: 225.6 °C
• PSA: 23.79000
• Density: 0.99 g/cm³
• LogP: 6.51838
• Solubility.: soluble in Acetone
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 305.214349865
• Heavy Atom Count: 23
• Complexity: 336

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Cyano-4'-nonylbiphenyl >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

Technology Process of [1,1'-Biphenyl]-4-carbonitrile, 4'-nonyl-

There total 5 articles about [1,1'-Biphenyl]-4-carbonitrile, 4'-nonyl- 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: 83.0%

4'-Nonyl-biphenyl-4-carbaldehyde oxime (93972-17-9) → 4-nonyl 4'-cyanobiphenyl (52709-85-0)

Guidance literature:

With acetic anhydride; for 2h; Heating;

Reference yield:

Nonanoyl chloride (764-85-2) → 4-nonyl 4'-cyanobiphenyl (52709-85-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 74 percent / 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;

Reference yield:

biphenyl (92-52-4,1594-86-1) → 4-nonyl 4'-cyanobiphenyl (52709-85-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 74 percent / 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'-Nonyl-biphenyl-4-carbaldehyde oxime

Nonanoyl chloride

biphenyl

1-biphenyl-4-yl-nonan-1-one

Refernces