Di-tert-butyl ether

Base Information

• Chemical Name: Di-tert-butyl ether
• CAS No.: 6163-66-2
• Molecular Formula: C8H18O
• Molecular Weight: 130.23
• Hs Code.: 2909199090
• European Community (EC) Number: 672-143-2
• UNII: C3A9UPP65H
• DSSTox Substance ID: DTXSID80210645
• Nikkaji Number: J44.185F
• Wikipedia: Di-tert-butyl_ether
• Wikidata: Q287728
• Mol file: 6163-66-2.mol

Synonyms:Di-tert-butyl ether;6163-66-2;tert-Butyl ether;t-butyl ether;Propane, 2,2'-oxybis[2-methyl-;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-(tert-butoxy)-2-methylpropane;UNII-C3A9UPP65H;C3A9UPP65H;2-tert-Butoxy-2-methylpropane;2,2'-oxybis(2-methylpropane);2-tert-butoxy-2-methyl-propane;2-(1,1-Dimethylethoxy)-2-methylpropane;Di-tert-butylether;tert-butylether;t-butylether;di-t-butyl ether;tert.-butyl ether;t-Bu2O;(tert-C4H9)2O;SCHEMBL8913;BIS(TERT-BUTYL)ETHER;2,2'-Oxybis-2-methyl-propane;DTXSID80210645;2-tert-Butoxy-2-methylpropane #;DI-TERT-BUTYL ETHER [MI];1,1'-Oxybis(1,1-dimethylethane);BBL101554;GEO-01260;MFCD00623577;STL555350;AKOS005259960;MS-20236;FT-0625364;Q287728;PROPANE, 2-(1,1-DIMETHYLETHOXY)-2-METHYL-

Chemical Property of Di-tert-butyl ether

Chemical Property:

• Vapor Pressure: 32.6mmHg at 25°C
• Boiling Point: 106°C
• Flash Point: 10.1°C
• PSA: 9.23000
• Density: 0.779g/cm³
• LogP: 2.60000
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 130.135765193
• Heavy Atom Count: 9
• Complexity: 69.7

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(C)(C)C

Technology Process of Di-tert-butyl ether

There total 21 articles about Di-tert-butyl ether 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: 50.0%

benzyl alcohol (100-51-6,185532-71-2) + tert-butyl alcohol (75-65-0) → 2,2'-oxybis(2-methyl-propane) (6163-66-2) + t-butoxymethylbenzene (3459-80-1) + dibenzyl ether (103-50-4)

Guidance literature:

With copper(ll) bromide; at 175 ℃; for 10h; Reagent/catalyst; Temperature; Inert atmosphere; Sealed tube;

DOI:10.1134/S1070428018080055

Reference yield: 22.4%

methanol (67-56-1) + tert-butyl alcohol (75-65-0) → tert-butyl methyl ether (1634-04-4) + 2,2'-oxybis(2-methyl-propane) (6163-66-2)

Guidance literature:

With zinc(II) chloride; at 60 ℃; for 6h;

Reference yield:

di-tert-butyl ether; compound with trichloromethane (1:1) (120381-91-1) → chloroform (67-66-3,8013-54-5) + 2,2'-oxybis(2-methyl-propane) (6163-66-2)

Guidance literature:

at 0 - 50 ℃; Thermodynamic data;

upstream raw materials:

tert-Butyl peroxybenzoate

tert-butylmagnesium chloride

di-tert-butyl ether; compound with trichloromethane (1:1)

tert.-butylhydroperoxide

Downstream raw materials:

di-isopropyl ether

ethane

Monodeuteromethan

formaldehyd

Refernces

• 1、 Bayguzina,Gimaletdinova,Khusnutdinov. "Synthesis of Benzyl Alkyl Ethers by Intermolecular Dehydration of Benzyl Alcohol with Aliphatic Alcohols under the Effect of Copper Containing Catalysts". . p. 1148 - 1155. Retrieved 2018/10/24.
• 2、 -. "The feeding at the same time containing butene dimerization and hydrated method (by machine translation)". Paragraph 0071-0077. . Retrieved 2017/03/22.