3-Tert-butoxy-1,2-propanediol

Base Information

• Chemical Name: 3-Tert-butoxy-1,2-propanediol
• CAS No.: 74338-98-0
• Molecular Formula: C7H16 O3
• Molecular Weight: 148.202
• DSSTox Substance ID: DTXSID60411618
• Nikkaji Number: J416.130K
• Mol file: 74338-98-0.mol

Synonyms:74338-98-0;(+/-)-1-tert-Butylglycerol;3-tert-butoxy-1,2-propanediol;(+/-)-3-tert-Butoxy-1,2-propanediol;3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol;3-(tert-butoxy)propane-1,2-diol;3-t-butoxy-1,2-propanediol;Glycerol, 1-tert-butyl ether;SCHEMBL116799;3-tert-butoxypropane-1,2-diol;3-tert-butoxy-1,2-propane diol;DTXSID60411618;MFCD00077673;(+/-)-Glycerol 1-tert-butyl ether;(?)-3-tert-Butoxy-1,2-propanediol;FT-0765284;EN300-1850853;(+/-)-3-tert-Butoxy-1,2-propanediol, >=97.0% (GC)

Chemical Property of 3-Tert-butoxy-1,2-propanediol

Chemical Property:

• Vapor Pressure: 0.0026mmHg at 25°C
• Refractive Index: n20/D 1.44
• Boiling Point: 254.6°C at 760 mmHg
• PKA: 13.70±0.20(Predicted)
• Flash Point: 114 °C
• PSA: 49.69000
• Density: 1.0 g/mL at 20 °C(lit.)
• LogP: 0.15470
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 148.109944368
• Heavy Atom Count: 10
• Complexity: 85.3

Purity/Quality:

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

(±)-3-tert-Butoxy-1,2-propanediol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OCC(CO)O
• Uses: (±)-3-tert-Butoxy-1,2-propanediol may be used in chemical synthesis studies.

Technology Process of 3-Tert-butoxy-1,2-propanediol

There total 10 articles about 3-Tert-butoxy-1,2-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: 80.0%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + isobutene (115-11-7,15220-85-6) → 1,2-di-tert-butylglycerol ether (162507-72-4) + 3-(tert-butoxy)propane-1,2-diol (74338-98-0) + 1,3-di-tert-buthyl glycerol ether (79808-30-3) + tri-tert-butyl glycerol ether (92867-55-5)

Guidance literature:

With A₃₅ resin acid; at 75 ℃; for 20h; under 11251.1 Torr; Inert atmosphere;

Reference yield: 65.0%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + tert-butyl alcohol (75-65-0) → 1,2-di-tert-butylglycerol ether (162507-72-4) + 3-(tert-butoxy)propane-1,2-diol (74338-98-0) + 1,3-di-tert-buthyl glycerol ether (79808-30-3) + tri-tert-butyl glycerol ether (92867-55-5)

Guidance literature:

With 1-methyl-imidazolium p-toluenesulfonic acid; at 100 ℃; for 24h; under 11251.1 Torr; Inert atmosphere;

Reference yield: 60.0%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + tert-butyl alcohol (75-65-0) → 3-(tert-butoxy)propane-1,2-diol (74338-98-0) + 1,3-di-tert-buthyl glycerol ether (79808-30-3) + tri-tert-butyl glycerol ether (92867-55-5)

Guidance literature:

With pillared clay treatedwith fuming sulfuric acid: AS₁₀₀; at 119.84 ℃; for 10h; Reagent/catalyst; Temperature; Inert atmosphere; Autoclave; High pressure;

DOI:10.1016/j.apcata.2014.03.037

upstream raw materials:

glycerol

isobutene

tert-butyl alcohol

glyceroltripalmitate

Downstream raw materials:

1-O-benzyl-3-O-tert-butylglycerol

2-O-benzyl-1-O-tert-butylglycerol

1-O-tert-butyl-2,3-di-O-p-toluenesulfonylglycerol