CAS 75-80-9|β-TRIBROMOETHYL ALCOHOL|ethanol, 2,2,2-tribromo-|2,2,2-tribromoethan-1-ol|2,2,2-Tribromoethan-1-ol|Tribromoethyl alcohol|2,2,2-三溴乙醇|三溴乙醇|2,2,2-Tribromoethanol|2,2,2-Tribromo...

基本信息

化学结构

分子式

C₂H₃Br₃O

分子量

282.75662

精确质量

279.77340072

电荷

InChI

InChI=1S/C2H3Br3O/c3-2(4,5)1-6/h6H,1H2

InChIKey

YFDSDPIBEUFTMI-UHFFFAOYSA-N

Canonic Smiles

OCC(Br)(Br)Br

Isomeric Smiles

OCC(Br)(Br)Br

计算属性

JChem

Acid pKa

13.247198

质子受体

质子供体

LogD (pH = 5.5)

1.5076975

LogD (pH = 7.4)

1.5076969

Log P

1.5076975

摩尔折射率

36.6413

极化性

14.504069

极化表面积

20.23

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

β-TRIBROMOETHYL ALCOHOL2,2,2-Tribromoethan-1-olTribromoethyl alcohol2,2,2-三溴乙醇三溴乙醇2,2,2-Tribromoethanol2,2,2-Tribromoethyl alcohol

IUPAC传统名

ethanol, 2,2,2-tribromo-

IUPAC标准名

2,2,2-tribromoethan-1-ol

名称和标识

数据登录号

MDL号

CAS号

EC号

Beilstein号

PubChem SID

1620432182490023124889399

PubChem CID

6400

数据登录号

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

MP Biomedicals

05219160

MP Biomedicals Rare Chemical collection

Sigma Aldrich

T48402

包装
5, 25, 100, 500 g in glass bottle

描述信息

参考文献

PubChem文献

数据源提供

• Carboxyl groups can be protected as tribromoethyl esters, e.g. by reaction of the acid chloride in the presence of N,N-dimethylaniline. The group is readily cleaved with Zn/AcOH: J. Chem. Soc., Pekin 1., 2875 (1993); (cf. 2,2,2-Trichloroethanol, L08163). The group has also been exploited in the activation of carboxylic acids for amidation with amines, by reductive cleavage of the tribromoethyl ester with a P(III) reagent, preferably Hexamethylphosphorous triamide, A12571, and triethylamine. In an analogous esterification method with alcohols, tributylphosphine - DMAP was the preferred system: J. Org. Chem., 64, 1430 (1999).

参考文献

生物活性

PubChem BioAssay

生物活性