2-Methyl-1,4-phenylene bis(4-(4-(acryloyloxy)butoxy)benzoate)

Base Information

• Chemical Name: 2-Methyl-1,4-phenylene bis(4-(4-(acryloyloxy)butoxy)benzoate)
• CAS No.: 132900-75-5
• Molecular Formula: C35H36O10
• Molecular Weight: 616.665
• European Community (EC) Number: 700-238-1
• DSSTox Substance ID: DTXSID201010230
• Nikkaji Number: J1.259.612J
• Wikidata: Q72499044
• Mol file: 132900-75-5.mol

Synonyms:132900-75-5;2-Methyl-1,4-phenylene bis(4-(4-(acryloyloxy)butoxy)benzoate);Benzoic acid, 4-[4-[(1-oxo-2-propenyl)oxy]butoxy]-, 2-methyl-1,4-phenylene ester;1,4-DI[4-(4-ACRYLOYLOXYBUTOXY)BENZOYLOXY]-2-METHYLBENZENE;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;EC 700-238-1;2-methylbenzene-1,4-diyl bis{4-[4-(acryloyloxy)butoxy]benzoate};2-Methylbenzene-1,4-diyl bis(4-(4-(acryloyloxy)butoxy)benzoate);SCHEMBL102915;NLGINBDFXRCWQW-UHFFFAOYSA-N;DTXSID201010230;MFCD26143191;BS-51455;CS-0161404;D5936;E76884;A855193;2-Methyl-1,4-phenylenebis(4-(4-(acryloyloxy)butoxy)benzoate);Bis[4-[4-(acryloyloxy)butoxy]benzoic acid]2-methyl-1,4-phenylene ester;4-[4-[(1-oxo-2-propenyl)oxy]butoxy]-Benzoic acid, 2-methyl-1,4-phenylene ester

Chemical Property of 2-Methyl-1,4-phenylene bis(4-(4-(acryloyloxy)butoxy)benzoate)

Chemical Property:

• Vapor Pressure: 0-0Pa at 20-50℃
• Boiling Point: 748.5±60.0 °C(Predicted)
• PSA: 123.66000
• Density: 1.195±0.06 g/cm3(Predicted)
• LogP: 6.20980
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 22
• Exact Mass: 616.23084734
• Heavy Atom Count: 45
• Complexity: 948

Purity/Quality:

99.9% ^*data from raw suppliers

2-Methyl-1,4-phenylenebis(4-(4-(acryloyloxy)butoxy)benzoate) 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCCCOC(=O)C=C)OC(=O)C3=CC=C(C=C3)OCCCCOC(=O)C=C

Technology Process of 2-Methyl-1,4-phenylene bis(4-(4-(acryloyloxy)butoxy)benzoate)

There total 4 articles about 2-Methyl-1,4-phenylene bis(4-(4-(acryloyloxy)butoxy)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: 94.0%

4-[(4-propenoyloxy)butyloxy]benzoic acid (69260-42-0) + 2-methylbenzene-1,4-diol (95-71-6,96937-50-7) → 2-methyl-1,4-phenylene bis(4-(4-(acryloyloxy)butoxy)-benzoate) (132900-75-5)

Guidance literature:

With hydrogenchloride; dmap; diisopropyl-carbodiimide; In tetrahydrofuran; at 40 ℃; for 5h; Solvent;

Reference yield: 90.0%

2-methylbenzene-1,4-diol (95-71-6,96937-50-7) + 4-(4-acryloyloxybutoxy)benzoic acid chloride → 2-methyl-1,4-phenylene bis(4-(4-(acryloyloxy)butoxy)-benzoate) (132900-75-5)

Guidance literature:

With 1-methyl-1H-imidazole; triethylamine; In tetrahydrofuran; ethyl acetate; at 23 ℃; for 3h;

Reference yield:

4-[(4-propenoyloxy)butyloxy]benzoic acid (69260-42-0) → 2-methyl-1,4-phenylene bis(4-(4-(acryloyloxy)butoxy)-benzoate) (132900-75-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 2,3-dibutyl-6-methylphenol; thionyl chloride / N,N-dimethyl-formamide; ethyl acetate / 2 h / 5 - 10 °C

2: 1-methyl-1H-imidazole; triethylamine / ethyl acetate; tetrahydrofuran / 3 h / 23 °C

With 1-methyl-1H-imidazole; thionyl chloride; 2,3-dibutyl-6-methylphenol; triethylamine; In tetrahydrofuran; ethyl acetate; N,N-dimethyl-formamide;

upstream raw materials:

4-[(4-propenoyloxy)butyloxy]benzoic acid

2-methylbenzene-1,4-diol

Refernces

• 1、 -. "Liquid crystal composition, method for manufacturing the same, and film". Page/Page column 47-48. . Retrieved 2016/10/31.
• 2、 -. "SIMPLIFIED CONTROL OF COLOR SHIFTING PROPERTIES OF A CHIRAL LIQUID CRYSTAL POLYMER". . . Retrieved 2013/03/26.