2-methoxyprop-1-ene

• ChemBase编号: 78178
• 分子式: C4H8O
• 平均质量: 72.10572
• 单一同位素质量: 72.05751488
• SMILES: O(C(=C)C)C
• Canonical SMILES: COC(=C)C
• InChI: InChI=1S/C4H8O/c1-4(2)5-3/h1H2,2-3H3
• InChIKey: YOWQWFMSQCOSBA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxyprop-1-ene
• IUPAC传统名: isopropenyl methyl ether
• 别名: 甲基异丙烯基醚; 2-甲氧基丙烯; 2-Methoxyprop-1-ene; Methyl isopropenyl ether; 2-Methoxypropene; 2-Methoxypropene; Isopropenyl methyl ether; 2-Methoxyprop-1-ene

登记号

• CAS号: 116-11-0
• EC号: 204-125-3
• MDL号: MFCD00014929
• Beilstein号: 1734635
• PubChem SID: 24886415; 24881402; 162042991; 24850352
• PubChem CID: 8300
• Chemspider ID: 7999
• 维基百科标题: 2-Methoxypropene

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.70156324
• LogD (pH = 7.4): 0.70156324
• Log P: 0.70156324
• 摩尔折射率: 22.5238 cm^3
• 极化性: 8.548852 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Colorless liquid
• 沸点: 34-36 °C; 34-36 °C(lit.); 35-36°C
• 闪点: -20.2 °F; -29 °C; -29°C(-20°F)
• 自燃点: 374 °F
• 密度: 0.753 g/mL; 0.753 g/mL at 25 °C(lit.); 0.758; 0.766 g/mL at 20 °C
• 折射率: 1.3835; n20/D 1.382; n20/D 1.382(lit.)
• 蒸汽压: 27.96 psi ( 55 °C); 8.28 psi ( 20 °C)

安全信息

• 保存注意事项: Flammable/Harmful/Keep Cold/Light Sensitive; Light Sensitive
• RTECS编号: UD0800000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 高度易燃性(Highly flammable) (F+); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1993; UN1993
• 德国WGK号: 1; 2
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 1; I
• 危险公开号: 11-19-22; 12-19-22
• 安全公开号: 16; 3/7-9-16-29-33-36; 3-7/9-16-29-33
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS06; GHS07
• GHS警示词: Danger
• GHS危险声明: H224-H301; H224-H302
• GHS警示性声明: P210; P210-P241-P301+P310-P303+P361+P353-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1993 3/PG 1
• 欧盟补充危害声明: May form explosive peroxides.
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (GC); ≥99.5% (GC); 95%, stab. with ca 0.5% potassium carbonate; 97%
• 级别: analytical standard; produced by BASF
• 杂质: ≤0.2% water
• 其他组分: potassium carbonate as stabilizer
• 有效期: (limited shelf life, expiry date on the label)
• 线性分子式: CH2=C(CH3)OCH3

详细说明

Sigma Aldrich - 174645

包装
50, 250 g in glass bottle
Application
用于保护肌醇中的邻羟基，如双丙酮化合物1和 1,2-二醇。2

Sigma Aldrich - 59262

Other Notes
用于糖类的动力学丙酮化作用的试剂1

参考文献

• Can be used, in the presence of an acid catalyst, for the introduction of the methoxyisopropyl protecting group for alcohols, readily removed under mild acid conditions. Unlike dihydropyran, the resulting acetals do not contain additional chiral centers (i.e. only a single diastereomer results): J. Am. Chem. Soc., 89, 3366 (1967); 94,7827 (1972); 100, 4616 (1978).
• Diols have been protected as their acetonides in the presence of dry HBr in dichloromethane: J. Am. Chem. Soc., 100, 4620 (1978), or TsOH in DMF: J. Chem. Soc., Chem. Commun., 21 (1980), used for selective protection of a 1,3- rather than a 1,2-diol in a sugar.