CAS 20244-61-5|2,4,4,6-tetrabromocyclohexa-2,5-dien-1-one|2,4,4,6-tetrabromocyclohexa-2,5-dien-1-one|2,4,4,6-TETRABROMO-2,5-CYCLOHEXADIENONE|2,4,4,6-Tetrabromo-2,5-cyclohexadienone|2,4,4,6-四溴-2,5-...

基本信息

化学结构

分子式

C₆H₂Br₄O

分子量

409.69548

精确质量

405.68391268

电荷

InChI

InChI=1S/C6H2Br4O/c7-3-1-6(9,10)2-4(8)5(3)11/h1-2H

InChIKey

NJQJGRGGIUNVAB-UHFFFAOYSA-N

Canonic Smiles

BrC1=CC(Br)(Br)C=C(C1=O)Br

Isomeric Smiles

BrC1=CC(Br)(Br)C=C(Br)C1=O

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

3.1780171

LogD (pH = 7.4)

3.1780171

Log P

3.1780171

摩尔折射率

61.1898

极化性

22.900185

极化表面积

17.07

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

IUPAC传统名

2,4,4,6-tetrabromocyclohexa-2,5-dien-1-one

IUPAC标准名

2,4,4,6-tetrabromocyclohexa-2,5-dien-1-one

别名

2,4,4,6-TETRABROMO-2,5-CYCLOHEXADIENONE2,4,4,6-Tetrabromo-2,5-cyclohexadienone2,4,4,6-四溴-2,5-环己二烯酮TBCO2,4,4,6-Tetrabromocyclohexa-2,5-dienone

名称和标识

数据登录号

CAS号

PubChem SID

PubChem CID

MDL号

EC号

Beilstein号

数据登录号

化合物性质

理化性质

熔点

ca 125°C dec.

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

05205302

MP Biomedicals Rare Chemical collection

Sigma Aldrich

302384

包装
5 g in glass bottle

描述信息

参考文献

PubChem文献

数据源提供

• Selectively monobrominates phenols and unprotected arylamines mainly at the para position: J. Chem. Soc. (C), 3652 (1971). For tabulated results for the p-bromination of arylamines, see: Org. Synth. Coll., 6, 181 (1988).

• For selective monobromination of imidazoles and indoles, see: J. Chem. Soc., Perkin 1, 2567 (1972).

• Versatile catalyst for acetalization and transacetalization of carbonyl compounds, preparation of acetonides from epoxides, and acylals from aldehydes: Bull. Chem. Soc. Jpn., 75, 2195 (2002).

• Reacts selectively with the terminal double bonds of polyenes: Chem. Lett., 283 (1976); Tetrahedron Lett., 26, 343 (1985). In aqueous systems, the products are the bromohydrins or, in methanol, their methyl ethers: Synthesis, 605 (1978) and references therein.

• In combination with PPh₃, can be used to convert alcohols and THP ethers to bromides with inversion of configuration: Tetrahedron Lett., 38, 1955 (1997). Silyl ethers also behave similarly: Tetrahedron Lett., 38, 7223 (1997).

• ɑ?-Unsaturated methyl ketones are brominated selectively at the methyl group: Tetrahedron, 29, 1625 (1973).

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

IUPAC传统名

2,4,4,6-tetrabromocyclohexa-2,5-dien-1-one

IUPAC标准名

2,4,4,6-tetrabromocyclohexa-2,5-dien-1-one

别名

2,4,4,6-TETRABROMO-2,5-CYCLOHEXADIENONE2,4,4,6-Tetrabromo-2,5-cyclohexadienone2,4,4,6-四溴-2,5-环己二烯酮TBCO2,4,4,6-Tetrabromocyclohexa-2,5-dienone

数据登录号

CAS号

PubChem SID

PubChem CID

MDL号

EC号

Beilstein号

化合物性质

理化性质

熔点

ca 125°C dec.

描述信息

MP Biomedicals

05205302

MP Biomedicals Rare Chemical collection

Sigma Aldrich

302384

包装
5 g in glass bottle

参考文献

PubChem文献

数据源提供

• For selective monobromination of imidazoles and indoles, see: J. Chem. Soc., Perkin 1, 2567 (1972).

• Versatile catalyst for acetalization and transacetalization of carbonyl compounds, preparation of acetonides from epoxides, and acylals from aldehydes: Bull. Chem. Soc. Jpn., 75, 2195 (2002).

• ɑ?-Unsaturated methyl ketones are brominated selectively at the methyl group: Tetrahedron, 29, 1625 (1973).

生物活性

PubChem BioAssay

化合物信息

ID:107881