[bis(tert-butoxy)phosphanyl]diethylamine

• ChemBase编号: 145755
• 分子式: C12H28NO2P
• 平均质量: 249.329981
• 单一同位素质量: 249.18576577
• SMILES: CCN(CC)P(OC(C)(C)C)OC(C)(C)C
• Canonical SMILES: CCN(P(OC(C)(C)C)OC(C)(C)C)CC
• InChI: InChI=1S/C12H28NO2P/c1-9-13(10-2)16(14-11(3,4)5)15-12(6,7)8/h9-10H2,1-8H3
• InChIKey: KUKSUQKELVOKBH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [bis(tert-butoxy)phosphanyl]diethylamine
• IUPAC传统名: [bis(tert-butoxy)phosphanyl]diethylamine
• 别名: N,N-二乙基亚磷酰胺二叔丁酯; Di-tert-butyl N,N-diethylphosphoramidite; N,N-Diethyl-phosphoramidous Acid Bis(1,1-dimethylethyl) Ester; Di-tert-butyl N,N-Diethylphosphoramidite; Di-t-butyl N,N-Diethylphosphoramidite

登记号

• CAS号: 117924-33-1
• MDL号: MFCD00134307
• Beilstein号: 4175262
• PubChem SID: 162239957; 24862597
• PubChem CID: 4251849

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.25810072
• LogD (pH = 7.4): 1.8634828
• Log P: 2.855
• 摩尔折射率: 71.9316 cm^3
• 极化性: 28.460354 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

• 溶解度: Chloroform
• 外观: Clear Colourless Liquid
• 沸点: 123.5-126.5°C / Oil Pump; 39-41 °C/0.3 mmHg(lit.)
• 闪点: 172.4 °F; 78 °C
• 密度: 0.896 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.434; n20/D 1.434(lit.)

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere
• 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
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: 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
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥90% (GC); 93%
• 级别: technical; technical grade
• 线性分子式: (C2H5)2NP[OC(CH3)3]2

详细说明

Sigma Aldrich - 365963

包装
1, 5 g in glass bottle

Toronto Research Chemicals - D429300

A useful reagent for the efficient phosphorylative conversion of alcohols into their corresponding dibenzylphosphorotriesters.

参考文献

• Perich, J.W., et al.: Synthesis, 142 (1988)