5-TERT-BUTYL METHYLISOPHTHALATE

Base Information

• Chemical Name: 5-TERT-BUTYL METHYLISOPHTHALATE
• CAS No.: 16308-65-9
• Molecular Formula: C14H18O4
• Molecular Weight: 250.295
• Mol file: 16308-65-9.mol

Synonyms:5-TERT-BUTYLBENZENE-1,3-BIS-METHYL CARBOXYLATE;5-TERT-BUTYL METHYLISOPHTHALATE;METHYL 5-TERT-BUTYL-ISOPHTHALATE DIESTER;5-Tetr-butyl methylisophthalate

Chemical Property of 5-TERT-BUTYL METHYLISOPHTHALATE

Chemical Property:

• Vapor Pressure: 0.000126mmHg at 25°C
• Boiling Point: 334.6°C at 760 mmHg
• Flash Point: 160.2°C
• PSA: 52.60000
• Density: 1.079g/cm³
• LogP: 2.55730

Purity/Quality:

98%Min ^*data from raw suppliers

Dimethyl5-tert-butylisophthalate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-TERT-BUTYL METHYLISOPHTHALATE

There total 10 articles about 5-TERT-BUTYL METHYLISOPHTHALATE 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%

methanol (67-56-1) + 5-t-butylisophthalic acid (2359-09-3) → dimethyl 5-(tert-butyl)isophthalate (16308-65-9)

Guidance literature:

With sulfuric acid; at 65 ℃; for 30h; Inert atmosphere;

Reference yield: 54.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + tert-butylbenzene (253185-03-4,253185-04-5) + carbon dioxide (124-38-9,18923-20-1) → 5-t-butylisophthalic acid (2359-09-3) + methyl 4-tert-butylbenzoate (26537-19-9) + dimethyl 5-(tert-butyl)isophthalate (16308-65-9) + methyl 3-(tert-butyl)benzoate (27330-57-0)

Guidance literature:

tert-butylbenzene; With n-butyllithium; potassium tert-butylate; In hexane; at 25 ℃; for 2h;

diazomethane; carbon dioxide; In diethyl ether;

DOI:10.1002/1099-0690(200111)2001:21<3985::AID-EJOC3985>3.0.CO;2-Y

Reference yield:

3,3-Dimethylbut-1-yne (917-92-0) + propynoic acid methyl ester (922-67-8) → dimethyl 5-(tert-butyl)isophthalate (16308-65-9) + 2-tert-butylterephthalic acid dimethyl ester

Guidance literature:

With diethylzinc; triphenylphosphine; phenol; bis(acetylacetonate)nickel(II); In tetrahydrofuran; hexane; at 20 ℃; Title compound not separated from byproducts.;

DOI:10.1039/b008882j

upstream raw materials:

diazomethane

5-t-butylisophthalic acid

tert-butylbenzene

carbon dioxide

Downstream raw materials:

3-(tert-butyl)-5-(methoxycarbonyl)benzoic acid

C₄₀H₃₈N₄

1,3-bis(hydroxymethyl)-5-tert-butylbenzene

5-tert-butylbenzene-1,3-dicarbaldehyde

Refernces

• 1、 Murai, Kenichi,Fukushima, Shunsuke,Nakamura, Akira,Shimura, Masato,Fujioka, Hiromichi. "C3-Symmetric chiral trisimidazoline: The role of a third imidazoline and its application to the nitro Michael reaction and the α-amination of β-ketoesters". experimental part. p. 4862 - 4868. Retrieved 2011/08/03.
• 2、 -. "HETEROCYCLIC CYTOKINE INHIBITORS". Page/Page column 136. . Retrieved 2010/11/27.