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2,5-Dimethyl-2,5-hexanediol

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2,5-Dimethyl-2,5-hexanediol Basic information

Product Name:
2,5-Dimethyl-2,5-hexanediol
Synonyms:
  • 1,1,4,4-Tetramethyl-1,4-butanediol
  • 2,5-dimethyl-5-hexanediol
  • 5-Hexanediol,2,5-dimethyl-2
  • DiMethyl-2,5-hexan
  • 2,5-Dimethyl-2,5-hex
  • 2,5-DiMethyl-2,5-hexanediol, 99% 250GR
  • 2,5-Dimethyl-2,5-hexanediol,99%
  • 2,5-DiMethyl-2,5-hexanediol, 99.5%
CAS:
110-03-2
MF:
C8H18O2
MW:
146.23
EINECS:
203-731-5
Product Categories:
  • Organic Building Blocks
  • Oxygen Compounds
  • Polyols
  • Building Blocks
  • Chemical Synthesis
  • Organic Building Blocks
  • Oxygen Compounds
  • bc0001
Mol File:
110-03-2.mol
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2,5-Dimethyl-2,5-hexanediol Chemical Properties

Melting point:
86-90 °C (lit.)
Boiling point:
214-215 °C (lit.)
Density 
0,898 g/cm3
vapor pressure 
0.18Pa at 20℃
refractive index 
1.4429 (estimate)
Flash point:
126 °C
storage temp. 
Keep in dark place,Sealed in dry,Room Temperature
form 
Crystalline Flakes
pka
15.07±0.29(Predicted)
color 
White
Odor
mild camphor
Water Solubility 
SOLUBLE
BRN 
1361437
InChIKey
ZWNMRZQYWRLGMM-UHFFFAOYSA-N
LogP
0.21 at 23℃
CAS DataBase Reference
110-03-2(CAS DataBase Reference)
NIST Chemistry Reference
2,5-Hexanediol, 2,5-dimethyl-(110-03-2)
EPA Substance Registry System
2,5-Hexanediol, 2,5-dimethyl- (110-03-2)
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Safety Information

Safety Statements 
22-24/25
WGK Germany 
3
TSCA 
Yes
HS Code 
29053980
Hazardous Substances Data
110-03-2(Hazardous Substances Data)

MSDS

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2,5-Dimethyl-2,5-hexanediol Usage And Synthesis

Chemical Properties

white crystalline flakes. Soluble in water 20°C 140g/L.

Uses

2,5-Dimethyl-2,5-hexanediol was used in the synthesis of six- and seven-membered heterocyclic boron compounds containing intramolecular N-B bond.

Uses

2,5-Dimethyl-2,5-hexanediol is used as an intermediate in the preparation of 2.5-Dimethyl-2.5-bis(tertbutyl-peroxy)hexane to produce polyethylene copolymers and polyethylene rubbers. It is also could be used to prepared nickel-containing Complex Reducing Agents (termed NiCRA)[1].

Preparation

The raw materials 2,5-Dimethyl-3-hexyne-2,5-diol (37.4 g, 263 mmol), ethyl acetate (60 mL), and Pd/C catalyst (0.285 g, 2.63 mmol, 1 mol %) were added to an autoclave. The hydrogen gas was slowly added to 10 bar. When the hydrogenation reaction was performed for 12 hours and then removed the hydrogen gas. Finally, 2,5-Dimethyl-2,5-hexanediol is obtained by purification.

Synthesis Reference(s)

Synthesis, p. 165, 1981 DOI: 10.1055/s-1981-29377

General Description

2,5-Dimethyl-2,5-hexanediol on heteropoly acid catalyzed dehydration yields cyclic ethers via stereospecific intramolecular SN2 mechanism. It reacts with nitriles in concentrated sulfuric acid to yield Δ1-pyrrolines.

Purification Methods

Purify the diol by fractional crystallisation. Then the diol is dissolved in hot acetone, treated with activated charcoal, and filtered while hot. The solution is cooled and the diol is filtered off and washed well with cold acetone. The crystallisation process ia repeated several times, and the crystals are dried under a vacuum in a freeze-drying apparatus [Goates et al. J Chem Soc, Faraday Trans 1 78 3045 1982]. [Beilstein 1 IV 2600.]

References

[1] Feghouli G, et al. Activation of reducing agents. Sodium hydride containing complex reducing agents 29. Epimerization of alcohols by nickel-containing complex reducing agents (NiCRA). Tetrahedron Letters, 1988; 9: 285–290.

2,5-Dimethyl-2,5-hexanediol Preparation Products And Raw materials

Raw materials

2,5-Dimethyl-2,5-hexanediolSupplier

Sichuan Zhongbang Pharma CO.,LTD Gold
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