p-Octyloxybenzonitrile

Base Information

• Chemical Name: p-Octyloxybenzonitrile
• CAS No.: 88374-55-4
• Molecular Formula: C15H21NO
• Molecular Weight: 231.338
• Hs Code.: 2926909090
• European Community (EC) Number: 618-154-8
• DSSTox Substance ID: DTXSID10237007
• Nikkaji Number: J1.225.157B
• Wikidata: Q69757072
• Mol file: 88374-55-4.mol

Synonyms:4-n-Octyloxybenzonitrile;p-Octyloxybenzonitrile;88374-55-4;4-(Octyloxy)benzonitrile;4-octoxybenzonitrile;4-Octyloxybenzonitrile;P-(OCTYLOXY)BENZONITRILE;4-n-Octyloxycyanobenzene;4-(Octyloxy)benzonitrile #;4-(Octyloxy)benzonitrile 98%;SCHEMBL6420383;4-(Octyloxy)benzonitrile, 98%;DTXSID10237007;MFCD00043483;AKOS009156710;AS-60003;CS-0360186;FT-0616840

Chemical Property of p-Octyloxybenzonitrile

Chemical Property:

• Appearance/Colour: off-white low melting solid or yellow liquid
• Vapor Pressure: 2.97E-05mmHg at 25°C
• Melting Point: 24-26°C
• Refractive Index: n20/D 1.513(lit.)
• Boiling Point: 356.2 °C at 760 mmHg
• Flash Point: 150.3 °C
• PSA: 33.02000
• Density: 0.97 g/cm³
• LogP: 4.29758
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 231.162314293
• Heavy Atom Count: 17
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

4-N-Octyloxybenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCOC1=CC=C(C=C1)C#N

Technology Process of p-Octyloxybenzonitrile

There total 9 articles about p-Octyloxybenzonitrile 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: 98.0%

1-bromo-octane (111-83-1) + 4-cyanophenol (767-00-0) → 4-n-Octyloxycyanobenzene (88374-55-4)

Guidance literature:

With potassium carbonate; In acetone; for 45h; Reflux;

DOI:10.1002/chem.200801996

Reference yield: 70.0%

4-(octyloxy)benzamide → 4-n-Octyloxycyanobenzene (88374-55-4)

Guidance literature:

at 300 ℃; for 1h; Temperature;

Reference yield: 66.0%

octyloxybenzene (1818-07-1) + potassium hexacyanoferrate(III) → 4-n-Octyloxycyanobenzene (88374-55-4)

Guidance literature:

With copper(II) nitrate trihydrate; iodine; In acetonitrile; at 180 ℃; for 35h; regioselective reaction;

DOI:10.1002/adsc.201200235

upstream raw materials:

1-bromo-octane

4-cyanophenol

octanol

sodium 4-cyanophenolate

Downstream raw materials:

3,6-bis-(4-octyloxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione

Refernces

• 1、 -. "Corresponding amine nitrile and method of manufacturing thereof". . . Retrieved 2018/05/07.
• 2、 Li, Lanqing,Wang, Lingyun,Tang, Hao,Cao, Derong. "A facile synthesis of novel near-infrared pyrrolopyrrole aza-BODIPY luminogens with aggregation-enhanced emission characteristics". supporting information. p. 8352 - 8355. Retrieved 2017/07/26.