tert-Butyl methyl-d3 ether

Base Information

• Chemical Name: tert-Butyl methyl-d3 ether
• CAS No.: 29366-08-3
• Molecular Formula: C5H9 D3 O
• Molecular Weight: 91.1259
• European Community (EC) Number: 686-114-7
• DSSTox Substance ID: DTXSID60583703
• Nikkaji Number: J1.125.096C
• Wikidata: Q82475306
• Mol file: 29366-08-3.mol

Synonyms:tert-Butyl methyl-d3 ether;29366-08-3;2-methyl-2-(trideuteriomethoxy)propane;Propane, 2-(methoxy-d3)-2-methyl-;DTXSID60583703;2-(?H?)methoxy-2-methylpropane;AKOS015913008;tert-Butyl methyl-d3 ether, 99 atom % D;D98038;J-017486

Chemical Property of tert-Butyl methyl-d3 ether

Chemical Property:

• Refractive Index: n20/D 1.368(lit.)
• Boiling Point: 55-56 °C(lit.)
• Flash Point: 14 °F
• PSA: 9.23000
• Density: 0.765 g/mL at 25 °C(lit.)
• LogP: 1.43130
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 91.107645240
• Heavy Atom Count: 6
• Complexity: 33.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

tert-Butyl methyl-d3 ether 99 atom % D ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn,Xi
• Statements: 11-40-43-38
• Safety Statements: 16-36/37-24-9

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC
• Isomeric SMILES: [2H]C([2H])([2H])OC(C)(C)C

Technology Process of tert-Butyl methyl-d3 ether

There total 2 articles about tert-Butyl methyl-d3 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:

N,N-di-tert-butyl-neopentylamine → methyl-d3 1-dideuterio-2-propenyl ether (29366-08-3) + N-t-butyl-2,2-dimethylpropylamine (58471-09-3) + isobutene (115-11-7,15220-85-6)

Guidance literature:

With d⁽⁴⁾-methanol; at 65 ℃;

DOI:10.1021/acs.joc.0c01790

Reference yield:

1,1,1-trideuteromethanol (1849-29-2) + tert-butyl alcohol (75-65-0) → tert-butyl methyl ether (1634-04-4) + 2,2'-oxybis(2-methyl-propane) (6163-66-2) + methyl-d3 1-dideuterio-2-propenyl ether (29366-08-3)

Guidance literature:

With sodium hexachloroplatinate; sodium tetrachloroplatinate(II); at 70 ℃; for 10h;

DOI:10.1016/j.molcata.2016.07.012

upstream raw materials:

1,1,1-trideuteromethanol

tert-butyl alcohol

Refernces

• 1、 Khazipov, Oleg V.,Nykytenko, Denys V.,Krasnyakova, Tatyana V.,Vdovichenko, Alexander N.,Fuentes Frias, Dario A.,Mitchenko, Serge A.. "Catalytic etherification of alcohols in Shilov system: C[sbnd]O versus C[sbnd]H bond activation". . p. 490 - 498. Retrieved 2016/12/16.