[(tert-butoxy)(dimethylamino)methyl]dimethylamine

• ChemBase编号: 80974
• 分子式: C9H22N2O
• 平均质量: 174.28378
• 单一同位素质量: 174.17321333
• SMILES: O(C(C)(C)C)C(N(C)C)N(C)C
• Canonical SMILES: CN(C(N(C)C)OC(C)(C)C)C
• InChI: InChI=1S/C9H22N2O/c1-9(2,3)12-8(10(4)5)11(6)7/h8H,1-7H3
• InChIKey: HXRAMSFGUAOAJR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(tert-butoxy)(dimethylamino)methyl]dimethylamine
• IUPAC传统名: [tert-butoxy(dimethylamino)methyl]dimethylamine
• 别名: Bredereck 试剂; 叔丁氧基双(二甲胺基)甲烷; Bredereck’s reagent; Bis(dimethylamino)(tert-butoxy)methane; 1-(tert-Butoxy)-N,N,N',N'-tetramethylmethanediamine; tert-Butoxy bis(dimethylamino)methane; 1-tert-Butoxy-N,N,N',N'-tetraMethylMethanediaMine

登记号

• CAS号: 5815-08-7
• EC号: 227-383-9
• MDL号: MFCD00042858
• Beilstein号: 1901973
• PubChem SID: 162068093; 24852244; 24863653
• PubChem CID: 79885

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.7030432
• LogD (pH = 7.4): 1.9249332
• Log P: 1.9286413
• 摩尔折射率: 53.0952 cm^3
• 极化性: 21.058195 Å^3
• 极化表面积: 15.71 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 50-55 °C/15 mmHg(lit.); 50-55°C/15mm
• 闪点: 105.8 °F; 41 °C; 41°C
• 密度: 0.844; 0.844 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.422; n20/D 1.422(lit.)

安全信息

• 保存注意事项: Flammable/Irritant/Store under Argon
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1993
• 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): 3
• 危险公开号: 10-36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Warning
• GHS危险声明: H226-H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 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 3

产品相关信息

• 纯度: 97%
• 级别: technical
• 线性分子式: (CH3)3COCH[N(CH3)2]2

详细说明

Sigma Aldrich - 20425

Analysis Note
叔丁氧基双(二甲胺基)甲烷、三(二甲胺基)甲烷和N,N-二甲基甲酰胺二叔丁基乙缩醛的混合物
Other Notes
综述5；条件温和的缩合反应6
包装
10, 50 mL in glass bottle
Application
Reactant for:
• Preparation of pyrroloquinazolines as photochemotherapeutic agents1
• Enanatioslective formal synthesis of the Cinchona alkaloid quinine via stereoselective intermolecular radical addition2
• Synthesis of camptothecin via intramolecular isomuenchnone cycloaddition reaction3
• Aminomethylenation reactions4

Sigma Aldrich - 384216

Application
用于活泼亚甲基和甲基的烯胺化反应。
酮和酯的 α-烯胺化反应的试剂。5,6
Reactant for:
• Preparation of pyrroloquinazolines as photochemotherapeutic agents1
• Enanatioslective formal synthesis of the Cinchona alkaloid quinine via stereoselective intermolecular radical addition2
• Synthesis of camptothecin via intramolecular isomuenchnone cycloaddition reaction3
• Aminomethylenation reactions4
包装
1, 10 g in glass bottle