Diethyl Cyanomethylphosphonate 氰甲基膦酸二乙酯

CAS 2537-48-6 MFCD00001893

化学结构图

2537-48-6
SMILES: CCOP(=O)(CC#N)OCC

化学属性

Mol. FormulaC6H12NO3P
Mol. Weight177.14
Density1.13
Refractive index1.4310 to 1.4350
Boiling Point101-102°C at 0.4 mmHg
Flash Point117.3±22.6 °C
TSCANo
Appearance 无色透明液体,密度 1.095,沸点 101-102℃,折射率 1.4312-1.4332

别名和识别编码

Chemical NameDiethyl Cyanomethylphosphonate
CAS Number2537-48-6
Synonym Diethyl (cyanomethyl)phosphonate {LY} Diethyl (cyanomethyl)phosphonate {} {LY} Diethyl (cyanomethyl)phosphonate {} {} {LY} Diethyl (cyanomethyl)phosphonate {} {} {} {LY} Diethyl (cyanomethyl)phosphonate {} {} {} {} {LY} Diethyl (cyanomethyl)phosphonate {} {} {} {} {} {LY} Diethyl (cyanomethyl)phosphonate {} {} {} {} {} {} {LY} Diethyl (cyanomethyl)phosphonate {} {} {} {} {} {} {} {LY} Diethyl (cyanomethyl)phosphonate {} {} {} {} {} {} {} {} {LY} Diethyl (cyanomethyl)phosphonate {} {} {} {} {} {} {} {} {} {LY} Diethyl (cyanomethyl)phosphonate {} {} {} {} {} {} {} {} {} {} {LY} Diethyl (cyanomethyl)phosphonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl (cyanomethyl)phosphonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl (cyanomethyl)phosphonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl (cyanomethyl)phosphonate {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00001893
EC Number219-806-0
Beilstein Registry Number4(4)3614
PubChem Substance ID87566433
Alfabeta NameDIETHYLCYANOMETHYLPHOSPHONATE
Reaxys-RN1772981
Chemical Name Translation氰甲基膦酸二乙酯
InChIKeyKWMBADTWRIGGGG-UHFFFAOYSA-N
LabNetwork Molecule IDLN00008382
InChIInChI=1S/C6H12NO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-4,6H2,1-2H3
Canonical SMILESN#CCP(OCC)(OCC)=O
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分类

  • {SNA} C-C Bond Formation, Chemical Synthesis, Horner-Wadsworth-Emmons Reagents, Olefination, Synthetic Reagents
  • Wittig Reagents

产品应用

  • Wittig reagent.

相关文献及参考

  • Arakawa, Y., et al.: Chem. Pharm. Bull., 57, 167 (2009),
  • Horner-Wadsworth-Emmons olefination converts carbonyl compounds to substituted acrylonitriles: J. Am. Chem. Soc., 83, 1733 (1961); J. Org. Chem., 30, 505 (1965). LiOH has been found to be an effective base for this reaction: Tetrahedron Lett., 44, 1333 (2003). See Appendix 1. See also 3-Coumaranone, A10202.
  • Laine, D., et al.: J. Med. Chem., 52, 5241 (2009),
  • Nakao, A., et al.: Bioorg. Med. Chem. Lett., 19, 4607 (2009),
  • The active methylene group can be monoalkylated under phase transfer conditions with alkyl iodides or allylic or benzylic bromides: Synthesis, 516 (1975). Use of alumina as base leads predominantly to the Knoevenagel product rather than the Wadsworth-Emmons: Tetrahedron, 41, 1259 (1985).

安全信息

Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • 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;
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R38 Irritating to skin 刺激皮肤
Precautionary statements
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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+P310+P330
  • P302+P350
  • P302+P352
  • P302+P352+P312+P361+P364
  • P304+P340+P311
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P332+P313
  • P337+P313
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H301+H311+H331
  • H315 Causes skin irritation 会刺激皮肤
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Packing GroupIII
UN Number 3278
Hazard Codes Xn
Warnings IRRITANT
Hazard Class6.1
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • Acros Organics:氰甲基膦酸二乙酯 Diethyl cyanomethylphosphonate, 96%(2537-48-6)
  • 海关编码:29310095
  • Hazard Note:Irritant
  • 氰甲基磷酸二乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1430 氰甲基膦酸二乙酯 Diethyl Cyanomethylphosphonate 5G 298元 2014/06/02 C1430 氰甲基膦酸二乙酯 Diethyl Cyanomethylphosphonate 25G 764元 2010/06/21 114270100 氰甲基磷酸二乙酯 Diethyl cyanomethylphosphonate 96% 10 GR 595元
  • Sigma Aldrich:2537-48-6(sigmaaldrich)
  • 图谱信息:氰甲基磷酸二乙酯(2537-48-6)核磁图( 13 CNMR) 氰甲基磷酸二乙酯(2537-48-6)核磁图( 1 HNMR) 氰甲基磷酸二乙酯(2537-48-6)红外图谱(IR1) 氰甲基磷酸二乙酯(2537-48-6)质谱(MS)
  • 下游产品:2-氨基喹啉 --> 苯并Bü呋喃-3-乙腈
  • MOL 文件:2537-48-6.mol
  • MSDS 信息:Diethyl cyanomethylphosphonate(2537-48-6).msds
  • TCI Shanghai:氰甲基膦酸二乙酯 Cyanomethylphosphonic Acid Diethyl Ester,>;98.0%(GC)(2537-48-6)
  • Alfa Aesar:氰甲基磷酸二乙酯,98+% Diethyl cyanomethylphosphonate, 98+%(2537-48-6)

系列性分类


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