2,5-ジメチル-2,5-ヘキサンジオール

化学名:2,5-ジメチル-2,5-ヘキサンジオール

CAS番号.110-03-2

英語名:2,5-Dimethyl-2,5-hexanediol

CBNumberCB3335426

MFC8H18O2

MW146.23

别名

2,5-ジメチル-2,5-ヘキサンジオール

2,5-ジメチルヘキサン-2,5-ジオール

2,5-ジヒドロキシ-2,5-ジメチルヘキサン

2,5-ジメチル-2,5-ヘキサンジオール物理性質

融点	86-90 °C (lit.)
沸点	214-215 °C (lit.)
比重(密度)	0,898 g/cm³
蒸気圧	0.18Pa at 20℃
屈折率	1.4429 (estimate)
闪点	126 °C
貯蔵温度	Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka)	15.07±0.29(Predicted)
外見	結晶フレーク
色	白い
臭い (Odor)	穏やかな樟脳
水溶解度	溶ける
BRN	1361437
InChIKey	ZWNMRZQYWRLGMM-UHFFFAOYSA-N
LogP	0.21 at 23℃
CAS データベース	110-03-2(CAS DataBase Reference)
NISTの化学物質情報	2,5-Hexanediol, 2,5-dimethyl-(110-03-2)
EPAの化学物質情報	2,5-Hexanediol, 2,5-dimethyl- (110-03-2)

安全性情報

危険有害性情報のコード(GHS)

外観
白色, 結晶〜結晶性粉末又は粒状
溶解性
水、エタノール及びアセトンに溶ける。
用途
有機合成原料。
化学的特性
white crystalline flakes. Soluble in water 20°C 140g/L.
使用
2,5-Dimethyl-2,5-hexanediol was used in the synthesis of six- and seven-membered heterocyclic boron compounds containing intramolecular N-B bond.
製造方法
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.
一般的な説明
2,5-Dimethyl-2,5-hexanediol on heteropoly acid catalyzed dehydration yields cyclic ethers via stereospecific intramolecular S_N2 mechanism. It reacts with nitriles in concentrated sulfuric acid to yield Δ¹-pyrrolines.
純化方法
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.]