2-tert-Butyl-2-methyl-1,3-propanediol

Base Information

• Chemical Name: 2-tert-Butyl-2-methyl-1,3-propanediol
• CAS No.: 25462-45-7
• Molecular Formula: C₈H₁₈O₂
• Molecular Weight: 146.23
• DSSTox Substance ID: DTXSID90180143
• Nikkaji Number: J50.764D
• Wikidata: Q83050654
• Mol file: 25462-45-7.mol

Synonyms:2-tert-Butyl-2-methyl-1,3-propanediol;25462-45-7;2-tert-butyl-2-methylpropane-1,3-diol;1,3-Propanediol, 2-tert-butyl-2-methyl-;2-(tert-butyl)-2-methylpropane-1,3-diol;BRN 1633498;2-tert-butyl-2-methyl-propane-1,3-diol;SCHEMBL3618215;DTXSID90180143;AKOS034140257;EN300-1588623;Z1725963225

Chemical Property of 2-tert-Butyl-2-methyl-1,3-propanediol

Chemical Property:

• Vapor Pressure: 0.0361mmHg at 25°C
• Boiling Point: 213.6°Cat760mmHg
• Flash Point: 89.7°C
• PSA: 40.46000
• Density: 0.939g/cm³
• LogP: 1.02340
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 146.130679813
• Heavy Atom Count: 10
• Complexity: 98.3

Purity/Quality:

99% ^*data from raw suppliers

2-Tert-Butyl-2-methyl-1,3-propanediol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(C)(CO)CO

Technology Process of 2-tert-Butyl-2-methyl-1,3-propanediol

There total 3 articles about 2-tert-Butyl-2-methyl-1,3-propanediol 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:

diethyl (methyl-tert-butyl)malonate (53268-44-3) → 2,3,3-Trimethyl-2-hydroxymethyl-butanol-(1) (25462-45-7)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether;

Reference yield:

tert-butylmalonic acid diethyl ester (759-24-0) → 2,3,3-Trimethyl-2-hydroxymethyl-butanol-(1) (25462-45-7)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) KOtBu, tBuOH, (ii) /BRN= 969135/, toluene

2: LiAlH₄ / diethyl ether

With lithium aluminium tetrahydride; In diethyl ether;

Reference yield:

→ 2,3,3-Trimethyl-2-hydroxymethyl-butanol-(1) (25462-45-7)

Guidance literature:

Diethyl-t-butylmethylmalonat, LiAlH4;

DOI:10.1002/mrc.1270090613

upstream raw materials:

diethyl (methyl-tert-butyl)malonate

tert-butylmalonic acid diethyl ester