4-Cyanophenyl 4-((6-(acryloyloxy)hexyl)oxy)benzoate

Base Information

• Chemical Name: 4-Cyanophenyl 4-((6-(acryloyloxy)hexyl)oxy)benzoate
• CAS No.: 83847-14-7
• Molecular Formula: C23H23NO5
• Molecular Weight: 393.439
• Hs Code.: 2926909090
• European Community (EC) Number: 425-120-4,685-454-3
• DSSTox Substance ID: DTXSID201019375
• Nikkaji Number: J642.410D
• Mol file: 83847-14-7.mol

Synonyms:83847-14-7;4-cyanophenyl 4-((6-(acryloyloxy)hexyl)oxy)benzoate;4-Cyanophenyl 4-[6-(acryloyloxy)hexyloxy]benzoate;4-cyanophenyl 4-{[6-(acryloyloxy)hexyl]oxy}benzoate;4'-((6-(Acryloyloxy)hexyl)oxy)-4-cyano-[1,1'-biphenyl]-3-carboxylic acid;starbld0022915;4-cyanophenyl-4-(6-(acryloyloxy)hexyloxy)benzoate;(4-cyanophenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate;SCHEMBL1961800;DTXSID201019375;BS-47023;4-(trans-4-pentylcyclohexyl)phenyl acrylate;CS-0433517;E75680;A854399;4''-CYANOPHENYL 4'-(6-ACRYLOXYHEXYLOXY)BENZOATE;4-(6-Acryloyloxy-hexyloxy)-benzoic acid 4-cyano-phenyl ester;benzoic acid, 4-[[6-[(1-oxo-2-propenyl)oxy]hexyl]oxy]-, 4-cyanophenyl ester

Chemical Property of 4-Cyanophenyl 4-((6-(acryloyloxy)hexyl)oxy)benzoate

Chemical Property:

• Vapor Pressure: 0-0Pa at 25-50℃
• Boiling Point: 563.1±45.0 °C(Predicted)
• PSA: 85.62000
• Density: 1.19
• LogP: 4.44588
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 393.15762283
• Heavy Atom Count: 29
• Complexity: 565

Purity/Quality:

99.9% ^*data from raw suppliers

4-Cyanophenyl4-((6-(acryloyloxy)hexyl)oxy)benzoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC(=O)OCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N

Technology Process of 4-Cyanophenyl 4-((6-(acryloyloxy)hexyl)oxy)benzoate

There total 4 articles about 4-Cyanophenyl 4-((6-(acryloyloxy)hexyl)oxy)benzoate 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: 60.0%

4-cyanophenol (767-00-0) + 4-{[6-(acryloyloxy)hexyl]oxy}benzoic acid (83883-26-5) → 4-(6-acryloyloxy-hexyloxy)-benzoic acid 4-cyano-phenyl ester (83847-14-7)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In tetrahydrofuran; at 20 ℃; for 25.5h; Cooling with ice;

DOI:10.1007/s11172-008-0051-6

Reference yield:

6-chloro-1-hexanol (2009-83-8) → 4-(6-acryloyloxy-hexyloxy)-benzoic acid 4-cyano-phenyl ester (83847-14-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 54 percent / potassium iodide, potassium hydroxide / ethanol; H₂O / 20 h / Heating

2: 67 percent / hydroquinone, p-toluenesulphonic acid / benzene / 20 h / Heating

3: 1.) thionyl chloride, 2,6-di-tert-butyl-4-methyl phenol, DMF; 2.) triethylamine / 1.) 25 min; 2.) chloroform, room t., 24 h

With potassium hydroxide; thionyl chloride; 2,6-di-tert-butyl-4-methyl-phenol; toluene-4-sulfonic acid; triethylamine; N,N-dimethyl-formamide; hydroquinone; potassium iodide; In ethanol; water; benzene;

Reference yield:

4-(6-hydroxyhexyloxy)benzoic acid (83883-25-4) → 4-(6-acryloyloxy-hexyloxy)-benzoic acid 4-cyano-phenyl ester (83847-14-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 67 percent / hydroquinone, p-toluenesulphonic acid / benzene / 20 h / Heating

2: 1.) thionyl chloride, 2,6-di-tert-butyl-4-methyl phenol, DMF; 2.) triethylamine / 1.) 25 min; 2.) chloroform, room t., 24 h

With thionyl chloride; 2,6-di-tert-butyl-4-methyl-phenol; toluene-4-sulfonic acid; triethylamine; N,N-dimethyl-formamide; hydroquinone; In benzene;

upstream raw materials:

4-cyanophenol

4-{[6-(acryloyloxy)hexyl]oxy}benzoic acid

6-chloro-1-hexanol

4-(6-hydroxyhexyloxy)benzoic acid

Refernces

• 1、 Cowie, J. M. G.,Hunter, H. W.. "Optical properties of side-chain liquid crystal copolymers of monosubstituted cholesteryl itaconate and a non-chiral mesogen". . p. 1811 - 1817. Retrieved 2007/10/03.