53547-61-8 ((Methanesulfonic acid, trifluoro-, ethenyl ester)

快速询单

结构式：

Methanesulfonic acid, trifluoro-, ethenyl esterMOL文件

CAS号：

53547-61-8

英文名称：

Methanesulfonic acid, trifluoro-, ethenyl ester

分子式：

C₃H₃F₃O₃S

分子量：

176.114330530167

Methanesulfonic acid, trifluoro-, ethenyl ester(53547-61-8)名称与标识符

名称

英文别名：

Methanesulfonic acid, trifluoro-, ethenyl ester;ethenyl trifluoromethanesulfonate;vinyltrifluoromethane-sulfonate;DTXSID40472101;AKOS040767083;vinyl triflate;SCHEMBL319023;53547-61-8;Vinyl trifluoromethanesulfonate;

标识符

InChIKey：

VDDXQSUSMHZCLS-UHFFFAOYSA-N

Inchi：

1S/C3H3F3O3S/c1-2-9-10(7,8)3(4,5)6/h2H,1H2

SMILES：

S(C(F)(F)F)(=O)(=O)OC=C

Methanesulfonic acid, trifluoro-, ethenyl ester(53547-61-8)物化性质

实验特性

PSA : 43.37

计算特性

精确分子量 : 175.97549
氢键供体数量 : 0
氢键受体数量 : 6
可旋转化学键数量 : 2
同位素质量 : 175.97549961g/mol
重原子数量 : 10
复杂度 : 208
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.6
拓扑分子极性表面积 : 51.8Å²

Methanesulfonic acid, trifluoro-, ethenyl ester(53547-61-8)相关文献

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2. Studies towards the total synthesis of solanoeclepin A: synthesis and potato cyst nematode hatching activity of analogues containing the tetracyclic left-hand substructure
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3. Ni-catalyzed cross-electrophile coupling between vinyl/aryl and alkyl sulfonates: synthesis of cycloalkenes and modification of peptides
Jicheng Duan,Yun-Fei Du,Xiaobo Pang,Xing-Zhong Shu Chem. Sci. 2019 10 8706
4. Tandem one pot asymmetric conjugate addition–vinyl triflate formation–cross coupling methodology
Rosa M. Suárez,Diego Pe?a,Adriaan J. Minnaard,Ben L. Feringa Org. Biomol. Chem. 2005 3 729
5. Iron-promoted C–C bond formation in the total synthesis of natural products and drugs
Julien Legros,Bruno Figadère Nat. Prod. Rep. 2015 32 1541
6. Iron-promoted C–C bond formation in the total synthesis of natural products and drugs
Julien Legros,Bruno Figadère Nat. Prod. Rep. 2015 32 1541
7. Reactivity of cyclic sulfamidates towards phosphonate-stabilised enolates: synthesis and applications of α-phosphono lactams
John F. Bower,Andrew J. Williams,Hannah L. Woodward,Peter Szeto,Ron M. Lawrence,Timothy Gallagher Org. Biomol. Chem. 2007 5 2636
8. Application of copper(i) salt and fluoride promoted Stille coupling reactions in the synthesis of bioactive molecules
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9. Synthesis of enantiomerically pure δ-benzylproline derivatives
Isabel Rodríguez,M. Isabel Calaza,Ana I. Jiménez,Carlos Cativiela New J. Chem. 2015 39 3310
10. Accessing spiropiperidines from dihydropyridones through tandem triflation–allylation and ring-closing metathesis (RCM)
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