CAS 3143-02-0|(3-Methyloxetan-3-yl)methanol|(3-methyloxetan-3-yl)methanol|(3-methyloxetan-3-yl)methanol|3-甲基-3-羟甲基氧杂环丁烷|3-Methyl-3-oxetanemethanol|3-Hydroxymethyl-3-methyl-oxetane|3-羟甲基...

基本信息

化学结构

分子式

C₅H₁₀O₂

分子量

102.1317

精确质量

102.06807956

电荷

InChI

InChI=1S/C5H10O2/c1-5(2-6)3-7-4-5/h6H,2-4H2,1H3

InChIKey

NLQMSBJFLQPLIJ-UHFFFAOYSA-N

Canonic Smiles

OCC1(C)COC1

Isomeric Smiles

C(O)C1(COC1)C

计算属性

JChem

Acid pKa

14.977656

质子受体

质子供体

LogD (pH = 5.5)

-0.2961118

LogD (pH = 7.4)

-0.2961118

Log P

-0.2961118

摩尔折射率

26.4429

极化性

10.544464

极化表面积

29.46

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

(3-Methyloxetan-3-yl)methanol3-羟甲基-3-甲基氧杂环丁烷3-Hydroxymethyl-3-methyl-oxetane3-Methyl-3-oxetanemethanol3-甲基-3-羟甲基氧杂环丁烷3-METHYL-3-OXETANEMETHANOL3-Hydroxymethyl-3-methyloxetane3-甲基-3-氧杂环丁烷甲醇

IUPAC标准名

(3-methyloxetan-3-yl)methanol

IUPAC传统名

(3-methyloxetan-3-yl)methanol

名称和标识

数据登录号

CAS号

PubChem SID

Beilstein号

MDL号

EC号

PubChem CID

数据登录号

化合物性质

分子相关蛋白质

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分子图谱

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描述信息

MP Biomedicals

02155616

1 ml = approx. 1.02 g

Sigma Aldrich

277681

Application
最近用于合成 δ-内酰胺的羧基保护基。1
包装
10, 50 g in glass bottle

描述信息

参考文献

PubChem文献

数据源提供

• Reacts with nucleophiles to give 2-substituted 2-methyl-1,3-propanediols; e.g. dialkylamines, on heating under pressure at 180^o, give 2-(N,N-dialkylaminomethyl)-2-methylpropane-1,3-diols, and aqueous hydrogen halides give the corresponding 2-halomethyl compounds: Liebigs Ann. Chem., 365 (1973).

• Valuable protecting agent for carboxylic acids, introduced by Corey. The oxetane ester, formed from the acid chloride, rearranges with BF₃ etherate to the bridged 2,6,7-trioxabicyclo[2.2.2]octane [OBO] orthoester, stable to strong bases and nucleophiles, e.g. Grignards, but readily cleaved by mild acid, followed by saponification of the ester: J. Am. Chem. Soc., 103, 4618 (1991); 106, 2735 (1984); Tetrahedron Lett., 23, 1651 (1982); 24, 5571 (1983); 27, 2199 (1986):