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tetrabutylazanium fluoride

ChemBase编号:94540
分子式:C16H36FN
平均质量:261.4621432
单一同位素质量:261.28317838
SMILES和InChIs

SMILES:
[N+](CCCC)(CCCC)(CCCC)CCCC.[F-]
Canonical SMILES:
CCCC[N+](CCCC)(CCCC)CCCC.[F-]
InChI:
InChI=1S/C16H36N.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChIKey:
FPGGTKZVZWFYPV-UHFFFAOYSA-M

引用这个纪录

CBID:94540 http://www.chembase.cn/molecule-94540.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
tetrabutylazanium fluoride
IUPAC传统名
tetrabutylammonium ion fluoride
tetrabutylammonium fluoride
别名
硅胶负载四丁基氟化铵
氧化铝负载四丁基氟化铵
四正丁基氟化铵, 1M THF溶液
四正丁基氟化铵三水合物
TBAF 溶液
四丁基氟化铵 溶液
四正丁基氟化铵
Tetrabutylammonium fluoride on silica gel
Tetrabutylammonium fluoride on alumina
Tetra-n-butylammonium fluoride, 1M soln. in THF
Tetra-n-butylammonium fluoride trihydrate
TBAF
Tetrakis(but-1-yl)ammonium fluoride 1.0M solution in THF
TBAF solution
Tetrabutylammonium fluoride solution
Tetra-n-butylammonium fluoride
Tetra-n-butylammonium fluoride
Tetrabutylammonium fluoride
CAS号
429-41-4
87749-50-6
EC号
207-057-2
MDL号
MFCD00149981
MFCD00011747
Beilstein号
3762762
3570522
3761900
PubChem SID
24862218
24852802
162081194
24860012
24861982
PubChem CID
2724141
CHEMBL
1078233
Chemspider ID
2006300
维基百科标题
Tetra-n-butylammonium_fluoride

理论计算性质

理论计算性质

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 cm3
极化性 31.734425 Å3 极化表面积 0.0 Å2
可自由旋转的化学键 12  里宾斯基五规则 true 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
熔点
54-60°C expand 查看数据来源
58-60 °C (trihydrate) expand 查看数据来源
沸点
65-67°C expand 查看数据来源
闪点
1.4 °F expand 查看数据来源
-17 °C expand 查看数据来源
-17°C expand 查看数据来源
-17°C(1°F) expand 查看数据来源
密度
0.903 expand 查看数据来源
0.903 g/mL at 25 °C expand 查看数据来源
0.953 g/mL at 25 °C expand 查看数据来源
折射率
n20/D 1.456 expand 查看数据来源
保存注意事项
Highly Flammable/Corrosive/Harmful/Irritant/Hygroscopic/Keep Cold/Store under Argon expand 查看数据来源
Hygroscopic expand 查看数据来源
欧盟危险性物质标志
腐蚀性(Corrosive) 腐蚀性(Corrosive) (C) expand 查看数据来源
易燃性(Flammable) 易燃性(Flammable) (F) expand 查看数据来源
有毒(Toxic) 有毒(Toxic) (T) expand 查看数据来源
X expand 查看数据来源
联合国危险货物编号
1759 expand 查看数据来源
1760 expand 查看数据来源
2924 expand 查看数据来源
UN2811 expand 查看数据来源
UN2922 expand 查看数据来源
UN2924 expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
联合国危险货物等级
3 expand 查看数据来源
6.1 expand 查看数据来源
8 expand 查看数据来源
联合国危险货物包装类别(PG)
1 expand 查看数据来源
2 expand 查看数据来源
II expand 查看数据来源
危险公开号
11-19-22-34 expand 查看数据来源
11-19-34-37 expand 查看数据来源
25-34 expand 查看数据来源
25-38-41 expand 查看数据来源
34 expand 查看数据来源
安全公开号
16-26-36/37/39-45 expand 查看数据来源
20-23-26-36/37/39-45 expand 查看数据来源
26-27-36/37/39-45 expand 查看数据来源
26-36/37/39-45 expand 查看数据来源
9-16-26-33-36/37/39-45-60 expand 查看数据来源
TSCA收录
expand 查看数据来源
GHS危险品标识
GHS02 expand 查看数据来源
GHS05 expand 查看数据来源
GHS06 expand 查看数据来源
GHS07 expand 查看数据来源
GHS08 expand 查看数据来源
GHS警示词
Danger expand 查看数据来源
GHS危险声明
H225-H314-H335 expand 查看数据来源
H225-H314-H351-H302-H335 expand 查看数据来源
H300-H314-H318 expand 查看数据来源
H300-H315-H318 expand 查看数据来源
H314 expand 查看数据来源
GHS警示性声明
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand 查看数据来源
P210-P261-P280-P305 + P351 + P338-P310 expand 查看数据来源
P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A expand 查看数据来源
P280-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand 查看数据来源
P280-P305 + P351 + P338-P310 expand 查看数据来源
个人保护装置
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand 查看数据来源
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand 查看数据来源
RID/ADR
UN 1759 8/PG 1 expand 查看数据来源
UN 1759 8/PG 2 expand 查看数据来源
UN 1760 8/PG 2 expand 查看数据来源
UN 2924 3/PG 2 expand 查看数据来源
欧盟补充危害声明
May form explosive peroxides. expand 查看数据来源
保存温度
2-8°C expand 查看数据来源
纯度
75% w/w aq. soln. expand 查看数据来源
95+% expand 查看数据来源
98% expand 查看数据来源
浓度
~1 M in THF expand 查看数据来源
~75% in H2O (NT) expand 查看数据来源
1.0 M in THF expand 查看数据来源
1M soln. in THF expand 查看数据来源
75 wt. % in H2O expand 查看数据来源
级别
purum expand 查看数据来源
杂质
~5 wt. % water expand 查看数据来源
4-5% water expand 查看数据来源
标签扩展内容
15 wt. % loading expand 查看数据来源
Capacity
~1.5 mmol/g (F-) expand 查看数据来源
线性分子式
(CH3CH2CH2CH2)4N(F) expand 查看数据来源
[CH3(CH2)3]4NF expand 查看数据来源

详细说明

详细说明

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich -  331953 external link
包装
25 g in poly bottle
Application

• Catalyst for etherification of alcohols and phenols with alkyl halides1
• Catalyst for benzylation reactions2
Sigma Aldrich -  358673 external link
包装
5, 25 g in poly bottle
Sigma Aldrich -  361399 external link
包装
100, 500 g in poly bottle
25 g in amber poly
Application
Reactant for preparation of:
• Triple monoamine reuptake inhibitors as a new generation of antidepressants1
• Alcohols via hydrolysis of alkyl silyl ethers neutral pH in mixed organic-aqueous buffered solutions2
• Oligoribonucleotides with phosphonate-modified linkages3
• Aryl alkyl alcohols via Nozaki-Hiyama allylation catalyzed by chiral bipyridyldiol ligands and chromium trichloride4
• Conjugated dienoic acid esters using Suzuki coupling reactions5
• Macrocyclic o-aminobenzamide Hsp90 inhibitorwith antitumor activity6
• Phospshoinositide 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) dual inhibitors7
• Anti-diabetic polyacetylenic glucosides8
Sigma Aldrich -  216143 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
包装
1 L in Sure/Seal™
5 mL in glass bottle
2, 2.5 L in glass bottle
50, 100, 500 mL in Sure/Seal™
Application
Reactant for preparation of:
• Triple monoamine reuptake inhibitors as a new generation of antidepressants1
• Alcohols via hydrolysis of alkyl silyl ethers neutral pH in mixed organic-aqueous buffered solutions2
• Oligoribonucleotides with phosphonate-modified linkages3
• Aryl alkyl alcohols via Nozaki-Hiyama allylation catalyzed by chiral bipyridyldiol ligands and chromium trichloride4
• Conjugated dienoic acid esters using Suzuki coupling reactions5
• Macrocyclic o-aminobenzamide Hsp90 inhibitorwith antitumor activity6
• Phospshoinositide 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) dual inhibitors7
• Anti-diabetic polyacetylenic glucosides8
Sigma Aldrich -  86900 external link
Application
Reactant for preparation of:
• Triple monoamine reuptake inhibitors as a new generation of antidepressants1
• Alcohols via hydrolysis of alkyl silyl ethers neutral pH in mixed organic-aqueous buffered solutions2
• Oligoribonucleotides with phosphonate-modified linkages3
• Aryl alkyl alcohols via Nozaki-Hiyama allylation catalyzed by chiral bipyridyldiol ligands and chromium trichloride4
• Conjugated dienoic acid esters using Suzuki coupling reactions5
• Macrocyclic o-aminobenzamide Hsp90 inhibitorwith antitumor activity6
• Phospshoinositide 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) dual inhibitors7
• Anti-diabetic polyacetylenic glucosides8
Sigma Aldrich -  86923 external link
Application
Reactant for preparation of:
• Triple monoamine reuptake inhibitors as a new generation of antidepressants1
• Alcohols via hydrolysis of alkyl silyl ethers neutral pH in mixed organic-aqueous buffered solutions2
• Oligoribonucleotides with phosphonate-modified linkages3
• Aryl alkyl alcohols via Nozaki-Hiyama allylation catalyzed by chiral bipyridyldiol ligands and chromium trichloride4
• Conjugated dienoic acid esters using Suzuki coupling reactions5
• Macrocyclic o-aminobenzamide Hsp90 inhibitorwith antitumor activity6
• Phospshoinositide 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) dual inhibitors7
• Anti-diabetic polyacetylenic glucosides8

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Mild catalyst for the silylation of OH by silazanes: Tetrahedron Lett., 35, 8409 (1994), or by hydrosilanes and disilanes: Tetrahedron Lett., 35, 8413 (1994). See Appendix 4.
  • Specific reagent for the cleavage of silyl ethers, including TBDMS: J. Am. Chem. Soc., 94, 6190 (1972), (see tert-Butyldimethylchlorosilane, A13064), as well as the more stable TBDPS: Org. Synth. Coll., 9, 4 (1998), and TIPS: J. Org. Chem., 45, 4797 (1980); (see also tert-Butyldiphenylchlorosilane, A12721 and Chlorotriisopropylsilane, A17376).
  • Ester enolates can be displaced from silicon, and trapped by reaction with carbonyl compounds without ɑ-hydrogens: Tetrahedron Lett., 1699 (1976). Under similar conditions, ketones with ɑ-hydrogens are converted under kinetic control to their silyl enol ethers with high (Z)-stereoselectivity (see Ethyl (trimethylsilyl)acetate, A17707): J. Am. Chem. Soc., 98, 2346 (1976); Org. Synth. Coll., 7, 512 (1990):
  • Promotes the directed aldol condensation of silyl enol ethers with aldehydes at low temperatures under very mild conditions: J. Org. Chem., 48, 932 (1983); alkali metal fluorides give poor results.
  • Acylation of hindered OH groups: Tetrahedron Lett., 1691 (1977). Nitro-aldol formation from aldehydes and nitro compounds (Henry reaction) facilitated by high pressure: Angew. Chem. Int. Ed., 23, 617 (1984). Dieckmann-type cyclization of a diester: Org. Synth. Coll., 8, 71 (1993). Catalyzes the regioselective N-alkylation of silylated purines with chloromethyl ethers: Helv. Chim. Acta, 72, 1495 (1989).
  • For nucleophilic displacement of halide or tosylate by TBAF in the preparation of alkyl and acyl fluorides, see: J. Org. Chem., 49, 3216 (1984); Org. Synth. Coll., 8, 258 (1993).
  • Fluoride ion as a base in organic synthesis: Chem. Rev., 80, 429 (1980). Synthetic aspects of the use of organosilicon compounds under nucleophilic catalysis conditions: Tetrahedron, 44, 2675 (1988). For a brief feature on uses of TBAF, see: Synlett, 2125 (2002).
  • For the cleavage of disilanes to give "metal-free" silyl anions, see Hexamethyldisilane, A13155.
  • Reagent for deprotection of N-Boc groups under mild conditions: Tetrahedron Lett., 43, 589 (2002).
  • Many other examples exist where the reagent acts as a base in organic synthesis:
  • Reviews:
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专利

专利

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