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Merck
CN
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文件

790184

Sigma-Aldrich

Sodium 1-(trifluoromethyl)cyclopropanesulfinate

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别名:
Baran TFCS-Na Reagent
经验公式（希尔记法）:
C4H4F3NaO2S
分子量:
196.12
MDL编号:
MFCD28124332
UNSPSC代码:
12352101
PubChem化学物质编号:
329768203
NACRES:
NA.22

形式

solid

质量水平

100

反应适用性

reaction type: C-C Bond Formation
reagent type: catalyst
reaction type: C-H Activation

mp

287-292 °C

SMILES字符串

[O-]S(C1(CC1)C(F)(F)F)=O.[Na+]

InChI

1S/C4H5F3O2S.Na/c5-4(6,7)3(1-2-3)10(8)9;/h1-2H2,(H,8,9);/q;+1/p-1

InChI key

IZLDENBRBYPDNY-UHFFFAOYSA-M

相关类别

应用

TFCS-Na is a diversification reagent for the C-H Functionalization of several classes of heterocycles. This reagent installs the trifluoromethylcyclopropyl group, which was recently reported to increase metabolic stability compared to compounds containing the tert-butyl group.

Simple Sulfinate Synthesis Enables C-H Trifluoromethylcyclopropanation

象形图

Exclamation mark
GHS07

警示用语：

Warning

危险声明

H315,H319,H335

危险分类

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

靶器官

Respiratory system

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

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David Barnes-Seeman et al.
ACS medicinal chemistry letters, 4(6), 514-516 (2014-06-06)
Susceptibility to metabolism is a common issue with the tert-butyl group on compounds of medicinal interest. We demonstrate an approach of removing all the fully sp(3) C-Hs from a tert-butyl group: replacing some C-Hs with C-Fs and increasing the s-character

商品

Baran Diversinates™

Rapidly diversify (hetero)aromatic scaffolds for chemical industry needs amid resource and time constraints, ensuring efficiency.

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