CAS 32503-27-8|tetrabutylazanium hydrogen sulfate|Hydrogen tetra(but-1-yl)ammonium sulphate 97%|tetrabutylammonium ion hydrogensulfate|Tetrabutylammonium bisulfate solution|tetrabutylammonium hydrog...

基本信息

化学结构

分子式

C₁₆H₃₇NO₄S

分子量

339.53428

精确质量

339.24432967

电荷

InChI

InChI=1S/C16H36N.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1

InChIKey

SHFJWMWCIHQNCP-UHFFFAOYSA-M

Canonic Smiles

[O-]S(=O)(=O)O.CCCC[N+](CCCC)(CCCC)CCCC

Isomeric Smiles

[N+](CCCC)(CCCC)(CCCC)CCCC.S(=O)(=O)(O)[O-]

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.3234289

LogD (pH = 7.4)

1.3234289

Log P

1.3234289

摩尔折射率

91.3961

极化性

31.734425

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传统名

tetrabutylammonium ion hydrogensulfate tetrabutylammonium hydrogensulfate

IUPAC标准名

tetrabutylazanium hydrogen sulfate

别名

Hydrogen tetra(but-1-yl)ammonium sulphate 97%Tetrabutylammonium bisulfate solutionTetrabutylammonium bisulfate, concentrate四丁基硫酸氢铵Tetrabutylammonium hydrogen sulfateTetrabutylammonium hydrogen sulfate 溶液Tetrabutylammonium hydrogen sulfate solutionTetrabutylammonium bisulfateTetrabutylammonium hydrogensulfateTetrabutylammonium bisulfateTetra-n-butylammonium Hydrogen SulfateTetrabutylammonium HydrogensulfateTBAHS-MBTetrabutyl-ammonium SulfateN,N,N-Tributyl-1-butanaminium SulfateTetrabutylammonium HydrosulfateTetra-n-butylammonium hydrogen sulfateTetrabutylammonium bisulfate solution四丁基硫酸氢铵溶液四丁基酒石酸氢铵溶液正四丁基硫酸氢基铵TETRABUTYLAMMONIUM HYDROGEN SULFATE

名称和标识

数据登录号

CAS号

32503-27-8

MDL号

MFCD00011637

PubChem SID

1620760662484957224888777248864022488879324888782

EC号

251-068-5

PubChem CID

94433

Beilstein号

3599663

数据登录号

化合物性质

安全信息

Harmful/Irritant/Hygroscopic/Store under Argon

R:22-36/37/38

22-36/37/38

Room Temperature (15-30°C), Desiccate

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

02152103

Purity: >97% Crystalline Phase transfer catalyst C16H37NO4S MW 339.5

Sigma Aldrich

72453

包装
250 mL in poly bottle

86847

包装
安瓿瓶装浓缩液 (~0.33M)，用于 6×1L 0.005M 即用型溶液

155837

包装
1 kg in poly bottle
25, 100 g in poly bottle

TRC

T289220

Displays antibacterial properties due to the presence of the quaternary amine and the counter ion.

描述信息

参考文献

PubChem文献

数据源提供

• Igalsbe, M. L. et al.; Bioorgan. Med. Chem Lett 19, 4984 (2009)

• For phase-transfer catalyzed conversion of nitriles to amides by alkaline H₂O₂, see: Synthesis, 243 (1980).

• Benzanilides have been N-alkylated in the presence of NaOH and K₂CO₃: Synth. Commun., 18, 2011 (1988).

• For use in the permanganate oxidation of benzylic positions, see Potassium permanganate, A12170.

• It was the most effective catalyst studied for the cyclization of ?-amino acids to ?-lactams by methanesulfonyl chloride and KHCO₃: Chem. Lett., 443 (1981).

• Widely used phase-transfer catalyst; see Appendix 2. Some illustrative applications are given below:

• The oxidation of primary alcohols to aldehydes by potassium chromate under phase-transfer conditions is better for higher homologues, where solubility in the aqueous phase is limited: Synthesis, 134 (1979). For phase-transfer catalyzed dichromate oxidation of secondary alcohols to ketones, see: Tetrahedron Lett., 1601 (1978).

• In the dehydrohalogenation of aryl 2-haloethyl ethers to give vinyl ethers, this catalyst was found much more effective than the corresponding halides or benzyltriethylammonium salts: Synthesis, 688 (1979).

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

IUPAC传统名

tetrabutylammonium ion hydrogensulfate tetrabutylammonium hydrogensulfate

IUPAC标准名

tetrabutylazanium hydrogen sulfate

别名

数据登录号

CAS号

32503-27-8

MDL号

MFCD00011637

PubChem SID

1620760662484957224888777248864022488879324888782

EC号

PubChem CID

Beilstein号

描述信息

Purity: >97% Crystalline Phase transfer catalyst C16H37NO4S MW 339.5

Sigma Aldrich

72453

包装
250 mL in poly bottle

86847

包装
安瓿瓶装浓缩液 (~0.33M)，用于 6×1L 0.005M 即用型溶液

155837

包装
1 kg in poly bottle
25, 100 g in poly bottle

TRC

T289220

Displays antibacterial properties due to the presence of the quaternary amine and the counter ion.

参考文献

PubChem文献

数据源提供

• Igalsbe, M. L. et al.; Bioorgan. Med. Chem Lett 19, 4984 (2009)

• For phase-transfer catalyzed conversion of nitriles to amides by alkaline H₂O₂, see: Synthesis, 243 (1980).

• Benzanilides have been N-alkylated in the presence of NaOH and K₂CO₃: Synth. Commun., 18, 2011 (1988).

• For use in the permanganate oxidation of benzylic positions, see Potassium permanganate, A12170.

• It was the most effective catalyst studied for the cyclization of ?-amino acids to ?-lactams by methanesulfonyl chloride and KHCO₃: Chem. Lett., 443 (1981).

• Widely used phase-transfer catalyst; see Appendix 2. Some illustrative applications are given below:

生物活性

PubChem BioAssay

化合物性质

安全信息

Harmful/Irritant/Hygroscopic/Store under Argon

R:22-36/37/38

22-36/37/38

Room Temperature (15-30°C), Desiccate

化合物信息

ID:89183