Ethyl 2-oxocyclopentanecarboxylate 2-氧代环戊基甲酸乙酯

CAS 611-10-9 MFCD00001412

化学结构图

611-10-9
SMILES: CCOC(=O)[C@H]1CCCC1=O

化学属性

Mol. FormulaC8H12O3
Mol. Weight156.18
Density1.054
Boiling Point228.2°C at 760 mmHg
Refractive index1.4520 to 1.4540
Flash Point77°C(lit.)
TSCANo
Solubility不溶
Appearance 无色液体。沸点122-124℃（3.33kPa），相对密度1.0976（0℃），折光率1.451（25℃）。溶于醇、醚、苯，不溶于水。

别名和识别编码

Chemical NameEthyl 2-oxocyclopentanecarboxylate
CAS Number611-10-9
Alfabeta NameETHYLOXOCYCLOPENTANECARBOXYLATE 2-
MDL NumberMFCD00001412
Synonym 1-Oxocyclopentane-2-carboxylic acid ethyl ester {LY} 1-Oxocyclopentane-2-carboxylic acid ethyl ester {} {LY} 1-Oxocyclopentane-2-carboxylic acid ethyl ester {} {} {LY} 1-Oxocyclopentane-2-carboxylic acid ethyl ester {} {} {} {LY} 1-Oxocyclopentane-2-carboxylic acid ethyl ester {} {} {} {} {LY} 1-Oxocyclopentane-2-carboxylic acid ethyl ester {} {} {} {} {} {LY} 1-Oxocyclopentane-2-carboxylic acid ethyl ester {} {} {} {} {} {} {LY} 1-Oxocyclopentane-2-carboxylic acid ethyl ester {} {} {} {} {} {} {} {LY} 1-Oxocyclopentane-2-carboxylic acid ethyl ester {} {} {} {} {} {} {} {} {LY} 1-Oxocyclopentane-2-carboxylic acid ethyl ester {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Oxocyclopentane-2-carboxylic acid ethyl ester {} {} {} {} {} {} {} {} {} {} {LY} 1-Oxocyclopentane-2-carboxylic acid ethyl ester {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Oxocyclopentane-2-carboxylic acid ethyl ester {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Oxocyclopentane-2-carboxyli
Beilstein Registry Number387787
PubChem Substance ID69136
EC Number210-253-0
Reaxys-RN387787
Chemical Name Translation2-氧代环戊基甲酸乙酯
InChIKeyJHZPNBKZPAWCJD-UHFFFAOYSA-N
LabNetwork Molecule IDLN00142091
InChIInChI=1S/C8H12O3/c1-2-11-8(10)6-4-3-5-7(6)9/h6H,2-5H2,1H3
Canonical SMILESO=C(C1C(CCC1)=O)OCC
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分类

  • {SNA} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; alicycle; 5ring; ester; ketone; racemate; 1fragment
  • Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

产品应用

  • 有机合成中间体。

相关文献及参考

  • Short: IV/18B
  • Short: EINECS
  • Beilstein:10(4)2602
  • Short: III/35C1

安全信息

Warnings IRRITANT
WGK Germany3
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Signal word Warning
GHS Symbol
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；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • 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。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • 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。
  • P370+P378
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H227 Combustible liquid 可燃液体
Storage condition 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 room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Codes Xi

其他信息

  • 下游产品:吲哚-3-丙酸
  • Acros Organics:环戊酮-2-羧酸乙酯 Ethyl 2-oxocyclopentanecarboxylate, tech., 90%(611-10-9)
  • 用途二:有机合成中间体。
  • 2-氧代环戊羧酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0268 环戊酮2-羧酸乙酯 Ethyl Cyclopentanone-2-carboxylate 250ML 2500元 2014/06/02 B0268 环戊酮2-羧酸乙酯 Ethyl Cyclopentanone-2-carboxylate 25ML 447元 2010/06/21 173580250 2-氧代环戊羧酸乙酯 Ethyl 2-oxocyclopentanecarboxylate 95+% 25 GR 419元
  • F:10
  • MSDS 信息:2-(Ethoxycarbonyl)cyclopentanone(611-10-9).msds
  • 溶于醇、醚、苯等大多数常规有机溶剂，水溶解度: 3-3.5%。
  • 海关编码:29183000
  • MOL 文件:611-10-9.mol
  • 用途一:用作药物中间体或香料添加剂
  • 图谱信息:2-氧代环戊羧酸乙酯(611-10-9)质谱(MS) 2-氧代环戊羧酸乙酯(611-10-9)红外图谱(IR1) 2-氧代环戊羧酸乙酯(611-10-9)核磁图( 13 CNMR) 2-氧代环戊羧酸乙酯(611-10-9)核磁图( 1 HNMR) 2-氧代环戊羧酸乙酯(611-10-9)Raman光谱
  • 上游原料:四氢呋喃 --> 乙酸 --> 钠 --> 甲苯 --> 叔丁醇钾 --> 二乙酯 --> 己二酸二乙酯
  • Alfa Aesar:环戊酮-2-羧酸乙酯 Ethyl 2-oxocyclopentanecarboxylate, 97+%(611-10-9)
  • TCI Shanghai:环戊酮-2-羧酸乙酯 Ethyl Cyclopentanone-2-carboxylate,>;96.0%(GC)(611-10-9)
  • 方法一:已二酸二乙酯在甲苯中在钠存在下环合得到该品。反应温度100-115℃，反应时间5h，收率74-81%。
  • 检测方法:HPLC,NMR
  • Sigma Aldrich:611-10-9(sigmaaldrich)

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. Esters - Carbonyl Compounds
  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. Esters - Carbonyl Compounds
  6. C8 to C9 - Esters
  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. Esters
  6. C6 to C7

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