[bis(2,2-dimethylpropoxy)methyl]dimethylamine

• ChemBase编号: 149149
• 分子式: C13H29NO2
• 平均质量: 231.37486
• 单一同位素质量: 231.21982917
• SMILES: CC(C)(C)COC(N(C)C)OCC(C)(C)C
• Canonical SMILES: CN(C(OCC(C)(C)C)OCC(C)(C)C)C
• InChI: InChI=1S/C13H29NO2/c1-12(2,3)9-15-11(14(7)8)16-10-13(4,5)6/h11H,9-10H2,1-8H3
• InChIKey: KEXFRBIOHPDZQM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [bis(2,2-dimethylpropoxy)methyl]dimethylamine
• IUPAC传统名: [bis(2,2-dimethylpropoxy)methyl]dimethylamine
• 别名: 1,1-二新戊基氧基-N,N-二甲基甲胺; 1,1-二新戊氧基三甲胺; N,N-二甲基甲酰胺二新戊基乙缩醛; 1,1-Dineopentyloxytrimethylamine; 1,1-Dineopentyloxy-N,N-dimethylmethylamine; N,N-Dimethylformamide dineopentyl acetal

登记号

• CAS号: 4909-78-8
• EC号: 225-536-4
• MDL号: MFCD00008851
• Beilstein号: 741992
• PubChem SID: 24848460; 162243317
• PubChem CID: 78623

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.9863255
• LogD (pH = 7.4): 4.0527534
• Log P: 4.0536695
• 摩尔折射率: 68.5986 cm^3
• 极化性: 27.587177 Å^3
• 极化表面积: 21.7 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 85-87 °C/10 mmHg(lit.); 85-87°C/10mm
• 闪点: 125.6 °F; 52 °C; 63°C(145°F)
• 密度: 0.829 g/mL at 25 °C(lit.); 0.830
• 折射率: 1.4117; n20/D 1.412(lit.)

安全信息

• 保存注意事项: Moisture Sensitive
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• TSCA收录: 否
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Warning
• GHS危险声明: H226-H315-H319-H335; H227
• GHS警示性声明: P210-P280-P370+P378A-P403+P235-P501A; P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: 98%; 99%
• 线性分子式: (CH3)2NCH[OCH2C(CH3)3]2

详细说明

Sigma Aldrich - 140244

包装
10, 50 g in glass bottle

参考文献

• This hindered acetal, in conjunction with an alcohol, converts carboxylic acids to esters of that alcohol: Angew. Chem. Int. Ed., 3, 62 (1964); Helv. Chim. Acta, 48, 1746 (1965). For application to the lactonization of ω-hydroxyacids, giving lactones of up to 16-membered rings, in modest yield, see: Angew. Chem. Int. Ed., 16, 876 (1977). Similarly, can be used to convert primary alcohols to alkylating agents for use in the alkylation of thiols (e.g. 2-Mercaptopyrimidine, A13382): Tetrahedron Lett., 585 (1972).