Di-tert-butyl phthalate

Base Information

• Chemical Name: Di-tert-butyl phthalate
• CAS No.: 30448-43-2
• Deprecated CAS: 134115-67-6
• Molecular Formula: C16H22 O4
• Molecular Weight: 278.348
• Hs Code.: 2917349000
• European Community (EC) Number: 250-204-0
• DSSTox Substance ID: DTXSID10184527
• Nikkaji Number: J249.992D
• Wikidata: Q83055435
• Mol file: 30448-43-2.mol

Synonyms:Di-tert-butyl phthalate;30448-43-2;ditert-butyl benzene-1,2-dicarboxylate;EINECS 250-204-0;Ditertbutyl phthalate;Di-tert-butylphthalate;Di-(terc-butilperoxi)ftalato;SCHEMBL109178;Diperoxyphtalate de tert-butyle;Phthalic acid ditert-butyl ester;DTXSID10184527;MFCD28969248;FF-0087;CS-0160292;1,2-di-tert-butyl benzene-1,2-dicarboxylate;Y13569;A919248;1,2-Benzenedicarboxylic acid, 1,2-bis(1,1-dimethylethyl) ester

Chemical Property of Di-tert-butyl phthalate

Chemical Property:

• Vapor Pressure: 0.000233mmHg at 25°C
• Melting Point: 184-185 °C
• Refractive Index: 1.5447 (estimate)
• Boiling Point: 325.3°Cat760mmHg
• Flash Point: 149.5°C
• PSA: 52.60000
• Density: 1.052g/cm³
• LogP: 3.59720
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 1.1mg/L(25 oC)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 278.15180918
• Heavy Atom Count: 20
• Complexity: 324

Purity/Quality:

99% ^*data from raw suppliers

Di-tert-butylphthalate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)(C)C

Technology Process of Di-tert-butyl phthalate

There total 6 articles about Di-tert-butyl phthalate 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: 72.0%

phthalic anhydride (85-44-9) + tert-butyl alcohol (75-65-0) → phthalic acid di(tert-butyl)ester (30448-43-2)

Guidance literature:

CoCl₂; In acetonitrile; at 80 ℃; for 3h;

DOI:10.1039/c39870000114

Reference yield: 67.0%

phthalic acid dimethyl ester (131-11-3,64441-70-9) + potassium tert-butylate (865-47-4) → phthalic acid di(tert-butyl)ester (30448-43-2)

Guidance literature:

In diethyl ether; at 20 ℃;

DOI:10.1055/s-2001-13356

Reference yield: 39.0%

→ phthalic acid di(tert-butyl)ester (30448-43-2)

Guidance literature:

With sulfuric acid; In di-isopropyl ether; toluene; at 40 ℃; for 4h; under 760.051 Torr;

upstream raw materials:

phthalic acid dimethyl ester

tert-butyl alcohol

Bicyclo<2.2.2>octa-2,5-dien-2,3-dicarbonsaeure-di-tert-butylester

phthalic anhydride

Downstream raw materials:

menadione

phthalic anhydride

Refernces

• 1、 Vasin,Razin. "Mild and efficient method for preparation of tert-butyl esters". . p. 658 - 660. Retrieved 2007/10/03.
• 2、 Weber, Gisela,Menke, Klaus,Hopf, Henning. "Alkynes and Cumulenes, XII. The Application of Di-tert-butyl Acetylenedicarboxylate in Diels-Alder Additions". . p. 531 - 541. Retrieved 2007/10/02.