CAS 1003-09-4|2-Bromothiophene 98%|2-bromothiophene|2-bromothiophene|2-Bromothiophene|2-Thienyl bromide|2-溴噻吩|2-Bromothiophene|2-噻吩基溴|NSC 4456

基本信息

化学结构

分子式

C₄H₃BrS

分子量

163.03562

精确质量

161.9138831

电荷

InChI

InChI=1S/C4H3BrS/c5-4-2-1-3-6-4/h1-3H

InChIKey

TUCRZHGAIRVWTI-UHFFFAOYSA-N

Canonic Smiles

Brc1cccs1

Isomeric Smiles

c1ccsc1Br

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

2.6884363

LogD (pH = 7.4)

2.6884363

Log P

2.6884363

摩尔折射率

29.9465

极化性

11.968581

极化表面积

0.0

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

2-Bromothiophene 98%2-Bromothiophene2-Thienyl bromide2-溴噻吩2-Bromothiophene2-噻吩基溴NSC 4456

IUPAC标准名

2-bromothiophene

IUPAC传统名

2-bromothiophene

名称和标识

数据登录号

CAS号

PubChem CID

PubChem SID

MDL号

Beilstein号

EC号

数据登录号

化合物性质

分子相关蛋白质

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分子图谱

暂无数据

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描述信息

Sigma Aldrich

124168

Application
用 CuBr-LiBr 偶联剂和氯甲酸酯处理衍生的格氏试剂，易于制得 2-噻吩基酯。1
包装
10, 50, 250 g in glass bottle

描述信息

参考文献

PubChem文献

数据源提供

• The bromo-substituent can be readily displaced by methoxide in methanol in the presence of a Cu(I) catalyst: Synth. Commun., 20, 213 (1990). For coupling reaction with Thiophene-2-thiol, B22642, in the presence of Cu₂O, to give 2,2'-dithienyl sulfide, see: Org. Synth. Coll., 6, 558 (1988).

• Allylic alcohols are thienylated by means of a Heck-type, Pd-catalyzed coupling reaction; the products are ketones formed by rearrangement: Chem. Lett., 423 (1977). Coupling with iodoarenes can be induced at the 5-position by the use of a palladium(II) catalyst in the presence of silver nitrate and potassium fluoride, providing access to 5-aryl-2-bromothiophene derivatives, which may be further elaborated by reaction with the available 2-bromo-substituent: Org. Lett., 7, 5083 (2005).

参考文献

生物活性

PubChem BioAssay

生物活性