1-Chloromethyl-4-Fluoro-1,4-Diazoniabicyclo[2.2.2]Octane Bis(Tetrafluoroborate) 1-氯甲基-4-氟-1,4-二氮杂双环[2.2.2]辛烷二(四氟硼酸)盐

CAS 140681-55-6 MFCD00142607

化学结构图

140681-55-6
SMILES: F[B-](F)(F)F.F[B-](F)(F)F.F[N+]12CC[N+](CCl)(CC1)CC2

化学属性

Mol. FormulaC7H14B2ClF9N2
Mol. Weight354.26
Melting Point260°C
TSCAT
Density1.422
Solubilitysoluble

别名和识别编码

Chemical Name1-Chloromethyl-4-Fluoro-1,4-Diazoniabicyclo[2.2.2]Octane Bis(Tetrafluoroborate)
CAS Number140681-55-6
Alfabeta NameFLUOROCHLOROMETHYLTRIETHYLENEDIAMINEBISTETRAFLUOROBORATE NN()---'
MDL NumberMFCD00142607
Synonym 1-(Chloromethyl)-4-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diium tetrafluoroborate {LY} 1-(Chloromethyl)-4-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diium tetrafluoroborate {} {LY} 1-(Chloromethyl)-4-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diium tetrafluoroborate {} {} {LY} 1-(Chloromethyl)-4-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diium tetrafluoroborate {} {} {} {LY} 1-(Chloromethyl)-4-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diium tetrafluoroborate {} {} {} {} {LY} 1-(Chloromethyl)-4-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diium tetrafluoroborate {} {} {} {} {} {LY} 1-(Chloromethyl)-4-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diium tetrafluoroborate {} {} {} {} {} {} {LY} 1-(Chloromethyl)-4-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diium tetrafluoroborate {} {} {} {} {} {} {} {LY} 1-(Chloromethyl)-4-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diium tetrafluoroborate {} {} {} {} {} {} {} {} {LY} 1-(Chloromethyl)-4-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diium tetrafluo
Beilstein Registry Number5368649
PubChem Substance ID2724933
EC Number414-380-4
Reaxys-RN5368649
Merck Number8425
Chemical Name Translation1-氯甲基-4-氟-1,4-二氮杂双环[2.2.2]辛烷二(四氟硼酸)盐
LabNetwork Molecule IDLN00116353
InChIInChI=1S/C7H14ClFN2.2BF4/c8-7-10-1-4-11(9,5-2-10)6-3-10;2*2-1(3,4)5/h1-7H2;;/q+2;2*-1
Canonical SMILESClC[N+]12CC[N+](CC2)(F)CC1.[2BF4-]
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分类

  • {SNA} Chemical Synthesis, Fluorination, Fluorination Reagents, Synthetic Reagents
  • {SNA} 12 Principles Aligned Products, C-H Activation, Catalysis and Inorganic Chemistry, Chemical Synthesis, Fluorination, Fluorination Reagents, Greener Alternative Products, Oxidants, Synthetic Reagents
  • {SNA} C-H Activation, Catalysis and Inorganic Chemistry, Chemical Synthesis, Fluorination, Fluorination Reagents, Oxidants, Synthetic Reagents

相关文献及参考

  • SELECTFLUOR is a registered trademark of Air Products & Chemicals Inc.
  • For use in the synthesis of fluorinated carbohydrates by reaction with glycals, see: J. Am. Chem. Soc., 119, 11743 (1997); J. Org. Chem., 64, 5264 (1999).
  • Water- and organic-soluble reagent developed by R. E. Banks and co-workers for electrophilic fluorination of a variety of substrates under mild conditions: USP 5,086,178 (1992 to Air Products & Chemicals, Inc.); review: J. Fluorine Chem., 87, 1 (1998). In acetonitrile, activated aromatics can be fluorinated in good yield: J. Chem. Soc., Perkin 1., 2069 (1996). Less active substrates can be fluorinated in the presence of triflic acid: Israel J. Chem., 39, 207 (1999). In acetonitrile, vinylsilanes undergo fluorodesilylation to give vinyl fluorides with retention of configuration: Chem. Commun., 233 (2001).
  • Merck: 14,8425
  • Stabilized carbanions can be selectively mono- or difluorinated: J. Chem. Soc., Chem. Commun., 343 (1994); Tetrahedron, 51, 3587 (1995). Fluorinated steroids have been prepared from enol acetates or silyl enol ethers: J. Org. Chem., 58, 2791 (1993). 5-Fluoropyrimidine nucleosides can be obtained by treatment of protected nucleosides with the reagent in the presence of water or methanol, followed by elimination of the resulting fluorohydrin derivative: J. Org. Chem., 60, 7340 (1995).
  • For application to N-fluorination of amines, see: Chem. Commun., 1196 (2001). Review of mechanistic insight and applications of the reagent: Angew. Chem. Int Ed., 44, 192 (2005). Brief feature on uses in synthesis: Synlett, 807 (2006). Review of electrophilic N-F fluorinating agents: Chem. Rev., 96, 1737 (1996).

安全信息

Warnings IRRITANT, KEEP COLD, SELF-HEATING SOLID
GHS Symbol
Precautionary statements
  • P235+P410
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312
  • P301+P312+P330
  • P302+P352+P333+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P407 Maintain air gap between stacks/pallets. 在堆叠/货板间保持气隙。
  • P420 Store away from other materials. 远离其他材料。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H318 Causes serious eye damage 严重伤害眼睛
  • H302 Harmful if swallowed 吞食有害
  • H252 Self-heating in large quantities; may catch fire 自我释放大量的热;可能着火。
  • H251 Self-heating: may catch fire 自我放热:可能着火
WGK Germany2
Signal word Danger
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Safety Statements
  • S21 When using do not smoke 使用时,禁止吸烟;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
Packing GroupII
UN Number 3088 UN3088
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R52/53
Hazard Codes 4.2 Xn,O,F,Xi
Hazard Class4.2
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 1-氯甲基-4-氟-1,4-二氮杂双环[2.2.2]辛烷二(四氟硼酸)盐价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 F0358 N-氟-N'-(氯甲基)三乙二胺双(四氟硼酸盐) N-Fluoro-N'-(chloromethyl)triethylenediamine Bis(tetrafluoroborate) 5G 121元 2014/06/02 F0358 N-氟-N'-(氯甲基)三乙二胺双(四氟硼酸盐) N-Fluoro-N'-(chloromethyl)triethylenediamine Bis(tetrafluoroborate) 25G 365元 2010/06/21 291490250 1-氯甲基-4-氟-1,4-二氮杂双环[2.2.2]辛烷二(四氟硼酸)盐 1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) 96% 25 GR 1439元
  • Hazard Note:Oxidising Agent
  • 主要用途:氟化剂,可对富电子双键、烯醇硅醚、烯醇锂盐等进行单氟化反应,用于制备含氟甾体药物等。
  • TSCA:T
  • Alfa Aesar:1-氯甲基-4-氟-1,4-重氮化二环2.2.2辛烷双(四氟硼酸盐),98+% 1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate), 98+%(140681-55-6)
  • 外观性质:白色晶体。
  • Sigma Aldrich:140681-55-6(sigmaaldrich)
  • 敏感性:Moisture Sensitive
  • MOL 文件:140681-55-6.mol
  • 选择性氟试剂:1-氯甲基-4-氟-1,4-二氮杂双环[2.2.2]辛烷二(四氟硼酸)盐是一种选择性氟试剂,室温下为白色晶体,分子式为C7H14B2ClF9N2,主要作为氟化剂,可对富电子双键、烯醇硅醚、烯醇锂盐等进行单氟化反应,用于制备含氟甾体药物等。
  • MSDS 信息:1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)(140681-55-6).msds
  • 溶于水,中度溶于盐酸、CH3CN,DMF。微溶于(CH3)2CO。
  • TCI Shanghai:N-氟-N'-(氯甲基)三乙二胺双(四氟硼酸盐) N-Fluoro-N'-(chloromethyl)triethylenediamine Bis(tetrafluoroborate),>;90.0%(T)(140681-55-6)
  • Acros Organics:1-氯甲基-4-氟-1,4-二叠氮双环[2.2.2]辛烷双四氟硼酸盐 1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate), 96%(140681-55-6)

系列性分类


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