TERT-BUTANOL-1,1,1-D3

Base Information

• Chemical Name: TERT-BUTANOL-1,1,1-D3
• CAS No.: 33500-15-1
• Molecular Formula: C₄H₁₀O
• Molecular Weight: 77.099
• Mol file: 33500-15-1.mol

Synonyms:tert-Butyl-2,2,2-d3alcohol (8CI)

Chemical Property of TERT-BUTANOL-1,1,1-D3

Chemical Property:

• PSA: 20.23000
• LogP: 0.77720

Purity/Quality:

tert-Butyl-1,1,1-d3Alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: tert-Butyl-1,1,1-d3 Alcohol (CAS# 33500-15-1) is a useful isotopically labeled research compound.

Technology Process of TERT-BUTANOL-1,1,1-D3

There total 4 articles about TERT-BUTANOL-1,1,1-D3 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:

d(4)-methanol (811-98-3) + acetone (67-64-1) → 2-methyl(1,1,1-2H3)propan-2-ol (33500-15-1)

Guidance literature:

d⁽⁴⁾-methanol; With phosphorus; iodine; at 0 ℃;

acetone; at 20 ℃; for 12h;

Reference yield:

iodomethane-d3 (865-50-9) + acetone (67-64-1) → 2-methyl(1,1,1-2H3)propan-2-ol (33500-15-1)

Guidance literature:

With magnesium; Yield given. Multistep reaction; 1) ether, 2) ether;

DOI:10.1021/ja00238a001

Reference yield:

Trideutero-methylbromid (1111-88-2) + acetone (67-64-1) → 2-methyl(1,1,1-2H3)propan-2-ol (33500-15-1)

Guidance literature:

With magnesium; Yield given. Multistep reaction; 1.) diethyl ether, 0.5 h, reflux, 2.) diethyl ether, 40 min, reflux;

upstream raw materials:

Trideutero-methylbromid

acetone

iodomethane-d3

d⁽⁴⁾-methanol

Downstream raw materials:

methane

Monodeuteromethan

methane-d3

acetone enolate ion

Refernces

• 1、 -. "A stable isotope labeled β receptor agonist synthetic method of compound". Paragraph 0074; 0075; 0076. . Retrieved 2017/04/29.
• 2、 Hayes, Roger N.,Sheldon, John C.,Bowie, John H.,Lewis, David E.. "Elimination of Molecular Hydrogen and Methane from Collision-Activated Alkoxide Negative Ions in the Gas Phase. An ab initio and Isotope Effect Study". . p. 1197 - 1208. Retrieved 2007/10/02.