Diethyl benzylphosphonate 苄基膦酸二乙酯

CAS 1080-32-6 MFCD00009078

化学结构图

1080-32-6
SMILES: CCOP(=O)(Cc1ccccc1)OCC

化学属性

Mol. FormulaC11H17O3P
Mol. Weight228.23
Density1.095
Refractive index1.4950 to 1.4980
Flash Point>113°C
TSCAYes
Boiling Point298.8°C at 760 mmHg

别名和识别编码

Chemical NameDiethyl benzylphosphonate
MDL NumberMFCD00009078
Synonym (Diethoxyphosphonomethyl)benzene Benzylphosphonic acid diethyl ester NSC 62294 Benzyl-phosphonic acid diethyl ester Benzylphosphonic acid diethyl ester DIETHYL BENZYLPHOSPHONATE DIETHYLBENZYLPHOSPHORATE Diethyl benzylphosphonate {uni_hamburg} Phosphonic acid, (phenylmethyl)-, diethyl ester benzyl-phosphonicacidiethylester diethyl benzylphosphonate {} {Chemicalbook} Diethylbenzylphosphonate, 99 % 二乙基苄基膦酸酯 苄基膦酸二乙酯
EC Number214-097-4
CAS Number1080-32-6
Beilstein Registry Number2580931
PubChem Substance ID14122
Reaxys-RN2580931
Chemical Name Translation苄基膦酸二乙酯
Wiswesser Line Notation2OPO&O2&1R
LabNetwork Molecule IDLN00110874
InChIInChI=1S/C11H17O3P/c1-3-13-15(12,14-4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
Canonical SMILESO=P(CC1=CC=CC=C1)(OCC)OCC
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分类

  • {SNA} C-C Bond Formation, Chemical Synthesis, Horner-Wadsworth-Emmons Reagents, Olefination, Synthetic Reagents
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment

产品应用

  • Reactant for synthesis of:
  • ? 3,5-dihydroxy-4-isopropylstilbene for treatment of skin disorders
  • ? Natural cytotoxic marine products of polyketide origin via intramolecular Diels-Alder reactions
  • ? Stilbenes via on-column oxidation of vicinal diols and Horner-Emmons reactions
  • ? Inhibitors of teh Wnt pathway for colon cancer repression using Wadsworth-Emmons reactions
  • ? Antimalarial drug analogs against P. falciparum
  • Reactant for:
  • ? Cyclization of aryl ethers, amines, and amides
  • ? Investigating the effects of functional groups on the performance of clue organic LEDs

相关文献及参考

  • Horner-Wadsworth-Emmons reaction (see Appendix 1) with aromatic aldehydes gives stilbenes, almost exclusively trans
  • Horner-Wadsworth-Emmons reaction (see Appendix 1) with aromatic aldehydes gives stilbenes, almost exclusively trans: J. Org. Chem., 30, 680 (1965); J. Am. Chem. Soc., 83, 1733 (1961); 96, 1459 (1974). NaH + 15-crown-5 in THF promotes reaction with aldehydes and ketones at room temperature in excellent yields: Synthesis, 117 (1981). Phase-transfer reaction with cinnamaldehydes, using tetra-n-butylammonium iodide and NaOH gives diarylbutadienes: Synthesis, 187 (1976).
  • See also 15-Crown-5, A12265.
  • Short: EINECS
  • Short: III/35E

安全信息

RTECSSZ6600000
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
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#01630

GHS Symbol
Signal word Warning
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。
  • 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。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • 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
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • 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
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Storage condition Store at room temperature

其他信息

  • Acros Organics:苄基磷酸二乙酯 Diethyl benzylphosphonate, 99%(1080-32-6)
  • Sigma Aldrich:1080-32-6(sigmaaldrich)
  • Alfa Aesar:苯基膦酸二乙酯,99% Diethyl benzylphosphonate, 99%(1080-32-6)
  • MOL 文件:1080-32-6.mol
  • 图谱信息:苯基膦酸二乙酯(1080-32-6)质谱(MS) 苯基膦酸二乙酯(1080-32-6)红外图谱(IR1) 苯基膦酸二乙酯(1080-32-6)核磁图( 1 HNMR) 苯基膦酸二乙酯(1080-32-6)核磁图( 13 CNMR)
  • TCI Shanghai:苄基磷酸二乙基酯 Diethyl Benzylphosphonate,>;98.0%(GC)(1080-32-6)
  • 苯基膦酸二乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B1795 苄基磷酸二乙基酯 Diethyl Benzylphosphonate 25G 370元 2010/06/21 114171000 苯基膦酸二乙酯 Diethyl benzylphosphonate 99% 100 GR 1709元 2010/06/21 114170250 苯基膦酸二乙酯 Diethyl benzylphosphonate 99% 25 GR 681元

系列性分类


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