2,3-Dimethylbutane-1,2-diol

Base Information

• Chemical Name: 2,3-Dimethylbutane-1,2-diol
• CAS No.: 66553-15-9
• Molecular Formula: C6H14O2
• Molecular Weight: 118.176
• Hs Code.: 2905399090
• European Community (EC) Number: 266-403-0
• NSC Number: 126861
• DSSTox Substance ID: DTXSID801310266
• Nikkaji Number: J310.115K
• Mol file: 66553-15-9.mol

Synonyms:2,3-Dimethylbutane-1,2-diol;66553-15-9;2,3-dimethyl-1,2-butanediol;EINECS 266-403-0;1,2-Butanediol,2,3-dimethyl-;NSC126861;SCHEMBL271545;1,2-Butanediol, 2,3-dimethyl-;DTXSID801310266;AKOS019065127;NSC 126861;NSC-126861;EN300-1240420

Chemical Property of 2,3-Dimethylbutane-1,2-diol

Chemical Property:

• Vapor Pressure: 0.204mmHg at 25°C
• Melting Point: 26.38°C (estimate)
• Refractive Index: 1.446
• Boiling Point: 184.9 °C at 760 mmHg
• Flash Point: 77 °C
• PSA: 40.46000
• Density: 0.96 g/cm³
• LogP: 0.38570
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 118.099379685
• Heavy Atom Count: 8
• Complexity: 70.9

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dimethylbutane-1,2-diol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)(CO)O

Technology Process of 2,3-Dimethylbutane-1,2-diol

There total 11 articles about 2,3-Dimethylbutane-1,2-diol 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: 62.0%

2,3-Dimethyl-1-butene (563-78-0) → 2,3-Dimethyl-1,2-Butanediol (66553-15-9)

Guidance literature:

With potassium permanganate; dihydrogen peroxide; In water; acetone; at 0 ℃; for 2h; Temperature; Inert atmosphere; Green chemistry;

DOI:10.1039/c5ra01646k

Reference yield:

3-methyl-butan-2-one (563-80-4) → 2,3-Dimethyl-1,2-Butanediol (66553-15-9)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium disulfite; water

2: hydrogen chloride / anschliessendes Behandeln mit Wasser

3: copper oxide-chromium oxide; ethanol / 200 °C / 257428 Torr / Hydrogenation

With hydrogenchloride; sodium disulfite; ethanol; copper oxide-chromium oxide; water;

DOI:10.1039/jr9570003270

Reference yield:

2-hydroxy-2,3-dimethyl-butyric acid ethyl ester (98560-72-6) → 2,3-Dimethyl-1,2-Butanediol (66553-15-9)

Guidance literature:

With ethanol; copper oxide-chromium oxide; at 200 ℃; under 257428 Torr; Hydrogenation;

DOI:10.1039/jr9570003270

upstream raw materials:

2-hydroxy-2,3-dimethyl-butyric acid ethyl ester

2,3-Dimethyl-1-butene

(+/-)-2-hydroxy-2,3-dimethylbutanoic acid

ethanol

Downstream raw materials:

1-hydroxymethyl-1,2-dimethylpropyl ethylcarbamate

2,3-dimethylbutanal

2,3-Dimethyl-1-(tosyloxy)-2-butanediol

Refernces

• 1、 Zhao, Yu,Mitra, Aurpon W.,Hoveyda, Amir H.,Snapper, Marc L.. "Kinetic resolution of 1,2-diols through highly site- and enantioselective catalytic silylation". . p. 8471 - 8474. Retrieved 2008/09/18.
• 2、 -. "DERMATOLOGICAL COMPOSITIONS AND METHODS". . . Retrieved 2008/06/13.