(1,1-dimethoxyethyl)dimethylamine

• ChemBase编号: 53520
• 分子式: C6H15NO2
• 平均质量: 133.1888
• 单一同位素质量: 133.11027873
• SMILES: C(N(C)C)(OC)(OC)C
• Canonical SMILES: COC(N(C)C)(OC)C
• InChI: InChI=1S/C6H15NO2/c1-6(8-4,9-5)7(2)3/h1-5H3
• InChIKey: FBZVZUSVGKOWHG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (1,1-dimethoxyethyl)dimethylamine
• IUPAC传统名: (1,1-dimethoxyethyl)dimethylamine
• 别名: 1,1-二甲氧基-N,N-二甲基乙胺; N,N-二甲基乙酰胺二甲基乙缩醛; N,N-二甲基胺乙酰缩二甲醇; (1,1-Dimethoxyethyl)dimethylamine; 1,1-Dimethoxy-N,N-dimethylethylamine; N,N-Dimethylacetamide dimethyl acetal; 1,1-Dimethoxy-N,N-dimethylethanamine

登记号

• CAS号: 18871-66-4
• EC号: 242-641-0
• MDL号: MFCD00008476
• Beilstein号: 1420865
• PubChem SID: 162058283; 24864234; 24855813
• PubChem CID: 87835

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.93746215
• LogD (pH = 7.4): 1.0579388
• Log P: 1.0597129
• 摩尔折射率: 37.164 cm^3
• 极化性: 14.696601 Å^3
• 极化表面积: 21.7 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 118 °C(lit.); 118-120°C
• 闪点: 46.4 °F; 8 °C; 8°C(46°F)
• 密度: 0.911; 0.911 g/mL at 25 °C(lit.)
• 折射率: 1.4120; n20/D 1.411; n20/D 1.411(lit.)

安全信息

• 保存注意事项: IRRITANT; Moisture Sensitive
• 欧盟危险性物质标志: 易燃性(Flammable) (F); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1993; UN1993
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 11-20/21/22-36/37/38-68/20/21/22; 11-20/21/22-68/20/21/22
• 安全公开号: 16-26-36/37; 9-36/37
• TSCA收录: false; 否
• GHS危险品标识: GHS02; GHS06; GHS08
• GHS警示词: Danger
• GHS危险声明: H224-H301-H311-H332-H371; H225-H302-H311-H315-H319-H331-H335-H371
• GHS警示性声明: P210-P260-P280-P305 + P351 + P338-P311; P210-P301+P310-P303+P361+P353-P361-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥90% (NT); 90%; 95+%; tech. 90%, stab with 5-10% methanol
• 级别: technical
• 线性分子式: CH3C(OCH3)2N(CH3)2

详细说明

Sigma Aldrich - 261483

包装
5, 25 g in glass bottle
Application
用于胺类1、二芳胺2和杂环化合物3,4合成的试剂

Sigma Aldrich - 38850

Other Notes
综述1

参考文献

• Reacts with 1,2-diols, e.g. sugars, to form 1-(dimethylamino)ethylidene cyclic acetals which can be cleaved with aqueous AcOH, giving the monoacetate of the less hindered OH, thus providing a method for selective monoprotection of the diol: Can. J. Chem., 50, 233 (1972).
• Reacts with active methylene compounds to give the (dimethylamino)ethylidene derivatives: Liebigs Ann. Chem., 641, 1 (1961), compare N,N-Dimethylformamide dimethyl acetal, A15350.
• For use in the N-acetylation of amides to give diacylamines (imides) in high yield, see: Synthesis, 119 (1980).