3-苯甲酰基丙酸 3-苯甲酰基丙酸

CAS 2051-95-8 MFCD00002792

化学结构图

2051-95-8
SMILES: O=C(O)CCC(=O)c1ccccc1

化学属性

Mol. FormulaC10H10O3
Mol. Weight178.18
Melting Point118°C
TSCAYes
Appearance 3-苯丙烯溴酸酯(2051-95-8)为白色晶体。熔点116℃。
Boiling Point359.7°C at 760 mmHg
Flash Point185.6°C

别名和识别编码

Chemical Name3-苯甲酰基丙酸
CAS Number2051-95-8
Synonym 3-Benzoylpropionic acid {LY} 3-Benzoylpropionic acid {} {LY} 3-Benzoylpropionic acid {} {} {LY} 3-Benzoylpropionic acid {} {} {} {LY} 3-Benzoylpropionic acid {} {} {} {} {LY} 3-Benzoylpropionic acid {} {} {} {} {} {LY} 3-Benzoylpropionic acid {} {} {} {} {} {} {LY} 3-Benzoylpropionic acid {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} 3-Benzoylpropionic acid {} {} {} {} {} {} {} {} {LY} 3-Benzoylpropionic acid {} {} {} {} {} {} {} {} {} {LY} 3-Benzoylpropionic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Benzoylpropionic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Benzoylpropionic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Benzoylpropionic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Benzoylpropionic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Benzoylpropionic acid {} {} {} {} {} {} {} {} {}
Beilstein Registry Number10,696
PubChem Substance ID87563846
EC Number218-135-0
MDL NumberMFCD00002792
Reaxys-RN639757
Chemical Name Translation3-苯甲酰基丙酸
InChIKeyKMQLIDDEQAJAGJ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00206247
InChIInChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
Canonical SMILESO=C(C1=CC=CC=C1)CCC(O)=O
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分类

  • Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SA} Building Blocks, C10,

相关文献及参考

  • Beil. 10 ,IV,2772
  • Can be used to protect alcohols as keto esters. Hydrazine reacts first with the ketone carbonyl and cleaves the ester intramolecularly by a "trigger" mechanism: J. Am. Chem. Soc., 91, 3356 (1969).
  • Enantioselective ɑ-mono- or dialkylation can be effected using L-(+)-Valinol, L11300, as a chiral auxiliary: J. Am. Chem. Soc., 106, 1146 (1984).
  • FT-IR 2 (2), 2588:D / FT-IR 1 (2), 147:D / FT-NMR 1 (2), 998:C / IR-Spectra (2), 819:A / IR-Spectra (3), 935:D / NMR-Reference 2 (2), 143:D / RegBook 1 (2), 1747:O / Sigma FT-IR 1 (2), 311:C / Structure Index 1 , 279:C:4
  • Fieser 2 ,26 / Fieser 3 ,19

安全信息

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。
  • 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+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+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
WGK Germany3
GHS Symbol
Signal word
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
Hazard Codes Xi
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • 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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
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
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at ro

其他信息

  • Alfa Aesar:3-苯甲酰丙酸,98+% 3-Benzoylpropionic acid, 98+%(2051-95-8)
  • 用途一:用作医药中间体
  • 上游原料:三氯化铝 --> 丁二酸酐
  • 方法一:丁二酸酐和干燥的无噻吩苯在无水三氯化铝存在下反应，加热回流半小时后，冷却加水，用水蒸气蒸馏除苯，过滤，滤液用浓盐酸酸化，即析出3-苯甲酰丙酸。
  • 图谱信息:3-苯丙烯溴酸酯(2051-95-8)红外图谱(IR1) 3-苯丙烯溴酸酯(2051-95-8)红外图谱(IR2) 3-苯丙烯溴酸酯(2051-95-8)Raman光谱 3-苯丙烯溴酸酯(2051-95-8)核磁图( 13 CNMR) 3-苯丙烯溴酸酯(2051-95-8)质谱(MS) 3-苯丙烯溴酸酯(2051-95-8)核磁图( 1 HNMR)
  • 3-苯丙烯溴酸酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0868 3-苯甲酰丙酸 3-Benzoylpropionic Acid 500G 3930元 2014/06/02 B0868 3-苯甲酰丙酸 3-Benzoylpropionic Acid 25G 529元 2010/06/21 105790250 3-苯丙烯溴酸酯 3-Benzoylpropionic acid 98% 25 GR 424元
  • Sigma Aldrich:2051-95-8(sigmaaldrich)
  • MOL 文件:2051-95-8.mol
  • 用途二:杀菌剂，低聚核苷酸合成试剂。
  • Acros Organics:3-苯甲酰丙酸 3-Benzoylpropionic acid, 98%(2051-95-8)
  • TCI Shanghai:3-苯甲酰丙酸 3-Benzoylpropionic Acid,>;98.0%(T)(2051-95-8)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C10 - Carboxylic Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids
  6. C1 to C5

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