Diisopropyl terephthalate

Base Information

• Chemical Name: Diisopropyl terephthalate
• CAS No.: 6422-84-0
• Molecular Formula: C14H18 O4
• Molecular Weight: 250.295
• Hs Code.: 2917399090
• DSSTox Substance ID: DTXSID00214428
• Nikkaji Number: J61.328B
• Wikidata: Q83090262
• Mol file: 6422-84-0.mol

Synonyms:Diisopropyl terephthalate;6422-84-0;dipropan-2-yl benzene-1,4-dicarboxylate;TEREPHTHALIC ACID DIISOPROPYL ESTER;Terephthalic acid, diisopropyl ester;1,4-Benzenedicarboxylic acid, bis(1-methylethyl) ester;BRN 1981894;1,4-bis(propan-2-yl) benzene-1,4-dicarboxylate;1-09-00-00375 (Beilstein Handbook Reference);diisopropylterephthalate;SCHEMBL701832;DTXSID00214428;MFCD01682720;AKOS027339762;AS-58381;LS-148742;F12028;A857014

Chemical Property of Diisopropyl terephthalate

Chemical Property:

• Vapor Pressure: 0.00512mmHg at 25°C
• Boiling Point: 275.3°Cat760mmHg
• Flash Point: 142.6°C
• PSA: 52.60000
• Density: 1.078g/cm³
• LogP: 2.81700
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 250.12050905
• Heavy Atom Count: 18
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

Diisopropylterephthalate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C1=CC=C(C=C1)C(=O)OC(C)C

Technology Process of Diisopropyl terephthalate

There total 8 articles about Diisopropyl terephthalate 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: 99.0%

terephthalic acid (100-21-0) + isopropyl bromide (75-26-3) → terephthalic acid diisopropyl ester (6422-84-0)

Guidance literature:

With triethylamine; at 60 ℃; for 2h; Inert atmosphere; Ionic liquid;

DOI:10.3906/kim-0904-39

Reference yield: 72.0%

terephthaloyl chloride (100-20-9) + isopropyl alcohol (67-63-0,8013-70-5) → terephthalic acid diisopropyl ester (6422-84-0)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1021/ol053130r

Reference yield: 57.0%

→ terephthalic acid diisopropyl ester (6422-84-0)

Guidance literature:

With palladium 10% on activated carbon; sodium carbonate; at 120 ℃; for 24h; Inert atmosphere;

With triphenylphosphine; In 1-methyl-pyrrolidin-2-one; at 100 ℃; for 24h;

upstream raw materials:

1,4-benzenedicarboxylic acid dimethyl ester

isopropyl alcohol

carbon monoxide

isopropyl 4-iodobenzoate

Downstream raw materials:

terephthalic acid monoisopropyl ester

Refernces

• 1、 -. "Preparation method of terephthalic acid and diester thereof". Paragraph 0036; 0039. . Retrieved 2017/06/23.
• 2、 Lee, Sun-Hwa,Nikonov, Georgii I.. "Transfer hydrogenation of ketones, nitriles, and esters catalyzed by a half-sandwich complex of ruthenium". . p. 107 - 113. Retrieved 2015/01/30.