CAS 27081-10-3|cyclohepta-2,4,6-trien-1-ylium; tetrafluoroboranuide|tropylium tetrafluoroborate|Tropylium tetrafluoroborate|Tropylium tetrafluoroborate|Cyclohepta-2,4,6-trienylium tetrafluoroborate ...

基本信息

化学结构

分子式

C₇H₇BF₄

分子量

177.9350928

精确质量

178.0576935

电荷

InChI

InChI=1S/C7H7.BF4/c1-2-4-6-7-5-3-1;2-1(3,4)5/h1-7H;/q+1;-1

InChIKey

SQVQHTIKOZVGLR-UHFFFAOYSA-N

Canonic Smiles

C1=C[CH+]C=CC=C1.F[B-](F)(F)F

Isomeric Smiles

[B-](F)(F)(F)F.C1=CC=C[CH+]C=C1

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

-1.1260408

LogD (pH = 7.4)

-1.1260408

Log P

-1.1260408

摩尔折射率

30.401

极化性

12.014511

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

IUPAC标准名

cyclohepta-2,4,6-trien-1-ylium; tetrafluoroboranuide

别名

Tropylium tetrafluoroborateTropylium tetrafluoroborateCyclohepta-2,4,6-trienylium tetrafluoroborate 95%Tropylium tetrafluoroborate四氟硼酸卓鎓

IUPAC传统名

tropylium tetrafluoroborate

名称和标识

数据登录号

Beilstein号

MDL号

CAS号

EC号

维基百科标题

Tropylium_tetrafluoroborate

Chemspider ID

134784

PubChem SID

160973631

PubChem CID

152926

数据登录号

化合物性质

产品相关信息

纯度

95%

97%

理化性质

熔点

ca 240°C(dec)

240°C

ca 240°C dec.

化合物性质

分子相关蛋白质

暂无数据

点击上传数据

分子图谱

暂无数据

点击上传数据

描述信息

参考文献

PubChem文献

数据源提供

• Propargylsilanes react similarly: J. Org. Chem., 57, 6094 (1992).

• Reaction with a variety of nucleophiles leads to 7-substituted heptatrienes, e.g. active methylene compounds: Bull. Chem. Soc. Jpn., 50, 3425 (1977); J. Org. Chem., 42, 401 (1977), and organometallic reagents: Bull. Soc. Chim. Fr.2, 127, 245 (1990).

• Undergoes [3+2]-cycloaddition with allenylsilanes, in the presence of a non-nucleophilic acid scavenger, in a general route to azulenes: J. Am. Chem. Soc., 111, 389 (1989):

• For reduction to bitropyl (7,7'-bi-cycloheptatrienyl) by one-electron donating reagents such as low-valent Ti or V, see: Synthesis, 798 (1976).

• Interesting non-benzenoid aromatic system. For a review of 7-membered conjugated cyclic systems, see: Chem. Rev., 73, 293 (1973).

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

IUPAC标准名

cyclohepta-2,4,6-trien-1-ylium; tetrafluoroboranuide

别名

Tropylium tetrafluoroborateTropylium tetrafluoroborateCyclohepta-2,4,6-trienylium tetrafluoroborate 95%Tropylium tetrafluoroborate四氟硼酸卓鎓

IUPAC传统名

tropylium tetrafluoroborate

数据登录号

Beilstein号

MDL号

CAS号

EC号

维基百科标题

Tropylium_tetrafluoroborate

Chemspider ID

134784

PubChem SID

160973631

PubChem CID

152926

化合物性质

产品相关信息

纯度

95%

97%

理化性质

熔点

ca 240°C(dec)

240°C

ca 240°C dec.

参考文献

PubChem文献

数据源提供

• Propargylsilanes react similarly: J. Org. Chem., 57, 6094 (1992).

• Undergoes [3+2]-cycloaddition with allenylsilanes, in the presence of a non-nucleophilic acid scavenger, in a general route to azulenes: J. Am. Chem. Soc., 111, 389 (1989):

• For reduction to bitropyl (7,7'-bi-cycloheptatrienyl) by one-electron donating reagents such as low-valent Ti or V, see: Synthesis, 798 (1976).

• Interesting non-benzenoid aromatic system. For a review of 7-membered conjugated cyclic systems, see: Chem. Rev., 73, 293 (1973).

生物活性

PubChem BioAssay

化合物信息

ID:10324