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
SMILES: F[B-](F)(F)F.F[B-](F)(F)F.F[N+]12CC[N+](CCl)(CC1)CC2
化学属性
| Mol. Formula | C7H14B2ClF9N2 |
|---|---|
| Mol. Weight | 354.26 |
| Melting Point | 260°C |
| TSCA | T |
| Density | 1.422 |
| Solubility | soluble |
别名和识别编码
| Chemical Name | 1-Chloromethyl-4-Fluoro-1,4-Diazoniabicyclo[2.2.2]Octane Bis(Tetrafluoroborate) |
|---|---|
| CAS Number | 140681-55-6 |
| Alfabeta Name | FLUOROCHLOROMETHYLTRIETHYLENEDIAMINEBISTETRAFLUOROBORATE NN()---' |
| MDL Number | MFCD00142607 |
| 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 Number | 5368649 |
| PubChem Substance ID | 2724933 |
| EC Number | 414-380-4 |
| Reaxys-RN | 5368649 |
| Merck Number | 8425 |
| Chemical Name Translation | 1-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 ID | LN00116353 |
| InChI | InChI=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 SMILES | ClC[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
GHS Symbol
- 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.....
- 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
- 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；
- 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
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)
