N-(tert-butyldimethylsilyl)-2,2,2-trifluoro-N-methylacetamide

• ChemBase编号: 8559
• 分子式: C9H18F3NOSi
• 平均质量: 241.3260296
• 单一同位素质量: 241.11097539
• SMILES: O=C(N([Si](C(C)(C)C)(C)C)C)C(F)(F)F
• Canonical SMILES: O=C(C(F)(F)F)N([Si](C(C)(C)C)(C)C)C
• InChI: InChI=1S/C9H18F3NOSi/c1-8(2,3)15(5,6)13(4)7(14)9(10,11)12/h1-6H3
• InChIKey: QRKUHYFDBWGLHJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(tert-butyldimethylsilyl)-2,2,2-trifluoro-N-methylacetamide
• IUPAC传统名: N-(tert-butyldimethylsilyl)-2,2,2-trifluoro-N-methylacetamide
• 别名: N-叔丁基二甲基甲硅烷基-N-甲基三氟乙酰胺; N-(叔丁基二甲基硅烷)-N-三氟乙酰胺; N-甲基-N-叔丁基二甲基甲硅烷基三氟乙酰胺; 甲硅烷基化混合物 Fluka VI; N-叔丁基二甲基甲硅烷基-N-甲基三氟乙酰胺，含 1% 叔丁基二甲基氯硅烷; N-[(1,1-Dimethylethyl)dimethylsilyl]-2,2,2-trifluoro-N-methylacetamide; N-Methyl-N-(tert-butyldimethylsilyl)-1,1,1-trifluoroacetamide; N-Methyl-N-(tert-butyldimethylsilyl)trifluoroacetamide; N-(tert-Butyldimethylsilyl)-N-methyltrifluoroacetamide; MTBSTFA; N-tert-Butyldimethylsilyl-N-methyltrifluoroacetamide; N-(t-Butyldimethylsilyl)-N-methyltrifluoro-acetamide; N-[(tert-Butyl)dimethylsilyl]-N-methyl-2,2,2-trifluoroacetamide, [Methyl(trifluoroacetyl)amino]dimethylsilane; N-[(tert-Butyl)dimethylsilyl]-N-methyltrifluoroacetamide 97%; TBSTFA; N-(tert-Butyldimethylsilyl)-N-methyltrifluoroacetamide; MTBSTFA + 1% TBDMSCl; MTBSTFA+TBDMSCl, 99:1; N-Methyl-N-tert-butyldimethylsilyltrifluoroacetamide; Silylating mixture Fluka VI; N-tert-Butyldimethylsilyl-N-methyltrifluoroacetamide with 1% tert-Butyldimethylchlorosilane; N-Methyl-N-(tert-butyldimethylsilyl)trifluoroacetamide 99+%

登记号

• CAS号: 77377-52-7
• EC号: 000-000-0
• MDL号: MFCD00009671
• Beilstein号: 3606546
• PubChem SID: 24864624; 160971866; 24863412
• PubChem CID: 2724275

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.7576
• LogD (pH = 7.4): 2.7576
• Log P: 2.7576
• 摩尔折射率: 50.6353 cm^3
• 极化性: 20.839455 Å^3
• 极化表面积: 20.31 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: 168-170°C; 168-170°C; 172-175 °C(lit.)
• 闪点: 113 °F; 45 °C; 52°C; 52°C(125°F)
• 密度: 1.023; 1.036 g/mL at 25 °C(lit.)
• 折射率: 1.402; 1.4020; n20/D 1.402(lit.)

安全信息

• 保存注意事项: Flammable; Moisture Sensitive
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 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): 3; III
• 危险公开号: 10-36/37/38
• 安全公开号: 26; 7-26-33-37-60
• TSCA收录: false; 否
• GHS危险品标识: GHS02; GHS05; GHS07
• GHS警示词: Danger; Warning
• GHS危险声明: H226-H314-H335; H226-H315-H319-H335
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338-P310; 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
• 保存温度: -20°C; 2-8°C

产品相关信息

• 纯度: >97%; ≥95%; ≥97%; ≥97.0% (GC); 97%
• 级别: derivatization grade; purum
• 其他组分: 1% TBDMSCl
• 线性分子式: CF3CON(CH3)Si(CH3)2C(CH3)3
• Empirical Formula (Hill Notation): C9H18F3NOSi

详细说明

Apollo Scientific Ltd - PC0406

GC derivatising agent for silylation of hydroxy, carboxy, thio & primary and secondary amines

Sigma Aldrich - B5763

Application
有效的硅烷化试剂，对湿度的敏感性比其他试剂低。

Sigma Aldrich - 375934

Application
用于 N,O-二酰基羟胺的选择性 O-甲硅烷基化。1
用于氮芥的水解反应制备 N-叔丁基二甲基甲硅烷基乙醇胺。
包装
10×1 mL in ampule
5, 25 mL in glass bottle

Sigma Aldrich - 394882

Application
硅烷化试剂，据报道对湿度的敏感性比其他硅烷化试剂低，用于 GLC 衍生化反应。
高效的硅烷化试剂。
包装
10×1 mL in ampule
5, 25, 100 mL in glass bottle

Sigma Aldrich - 19915

Other Notes
在中性条件下引入叔丁基二甲基甲硅烷基的强效试剂1,2,3,4

Sigma Aldrich - 19918

Other Notes
醇、胺、羧酸等的活泼甲硅烷基化混合物。1,2

Toronto Research Chemicals - B691310

A silylating agent used in the derivatization of various organic compounds (such as amino acids) for gas chromatogography-mass spectrometry (GC-MS) analysis.

参考文献

• Pleasance, S. et al.: Biomed. Env. Mass Spec., 19, 420 (1990)
• Paik, M. et al.: BMB Rep., 41, 23 (1990)
• Reactive silylating agent effective in acetonitrile for introduction of the TBDMS group with alcohols, thiols, amines, amides, carboxylic acids, as well as conversion of enolizable carbonyl groups to silyl enol ethers: J. Org. Chem., 47, 3336 (1982). See Appendix 4.