Dimethyl 1,3-Acetonedicarboxylate 1,3-丙酮二羧酸二甲酯

CAS 1830-54-2 MFCD00008462

化学结构图

1830-54-2
SMILES: COC(=O)CC(=O)CC(=O)OC

化学属性

Mol. FormulaC7H10O5
Mol. Weight174.15
Density1.206 g/mL at 20 °C(lit.)
Refractive index1.4430 to 1.4460
Boiling Point262.1°C at 760 mmHg
Flash Point113°C
TSCAYes
Melting Point16-17°C
SolubilityAPPROX. 120 G/L (20 ºC)
Appearance 无色或淡黄色液体, 密度1.185,沸点150℃(25 mmHg),折射率1.443-1.445,水溶性approx. 120 g/L

别名和识别编码

Chemical NameDimethyl 1,3-Acetonedicarboxylate
CAS Number1830-54-2
Alfabeta NameDIMETHYLACETONEDICARBOXYLATE 13--,
MDL NumberMFCD00008462
Synonym Dimethyl acetone-1,3-dicarboxylate {LY} Dimethyl acetone-1,3-dicarboxylate {} {LY} Dimethyl acetone-1,3-dicarboxylate {} {} {LY} Dimethyl acetone-1,3-dicarboxylate {} {} {} {LY} Dimethyl acetone-1,3-dicarboxylate {} {} {} {} {} {} {} {} {LY} Dimethyl acetone-1,3-dicarboxylate {} {} {} {} {} {LY} Dimethyl acetone-1,3-dicarboxylate {} {} {} {} {} {} {LY} Dimethyl acetone-1,3-dicarboxylate {} {} {} {} {} {} {} {LY} Dimethyl acetone-1,3-dicarboxylate {} {} {} {} {} {} {} {} {LY} Dimethyl acetone-1,3-dicarboxylate {} {} {} {} {} {} {} {} {} {LY} Dimethyl acetone-1,3-dicarboxylate {} {} {} {} {} {} {} {} {} {} {LY} Dimethyl acetone-1,3-dicarboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dimethyl acetone-1,3-dicarboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dimethyl acetone-1,3-dicarboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dimethyl acetone-1,3-d
EC Number217-385-8
Beilstein Registry Number3(4)1817
PubChem Substance ID74591
Reaxys-RN1366042
Chemical Name Translation1,3-丙酮二羧酸二甲酯
InChIKeyRNJOKCPFLQMDEC-UHFFFAOYSA-N
LabNetwork Molecule IDLN00195559
InChIInChI=1S/C7H10O5/c1-11-6(9)3-5(8)4-7(10)12-2/h3-4H2,1-2H3
Canonical SMILESC(C(CC(OC)=O)=O)C(OC)=O
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分类

  • {SNA} Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • Reacts with ɑ-diketones in aqueous buffer to give bicyclic diketones (Weiss-Cook condensation): Tetrahedron Lett., 4885 (1968); Org. Synth. Coll., 7, 50 (1990):
  • See also Diethyl­ acetone-1,3-dicarboxyl­ate, A10933.
  • See also: J. Chem. Soc., Perkin 1, 1425 (1997). Use of cyclic ɑ-diketones leads to propellanes: Can. J. Chem., 189 (1978).
  • The Na salt (NaH/THF) reacts with alkynals: J. Org. Chem., 62, 5688 (1997), or ynones: Synth. Commun., 28, 1525 (1998), under mild conditions to give 4-substituted dimethyl 2-hydroxyisophthalates via a Michael addition - aldol cyclization process; see 3-Butyn-2-one, L05527 for scheme.

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany1
Hazard statements
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H303 May be harmfully swallowed 吞食可能有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter Eyeshields, Faceshields, Gloves
Hazard Codes Xi
Precautionary statements
  • P302+P352+P333+P313+P362+P364
  • 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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P333+P313
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P302+P350
  • 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。
  • 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。
  • P305+P351+P338
Signal word Warning
Risk Statements
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Safety Statements
  • S24 Avoid contact with skin 避免皮肤接触；
  • S37 Wear suitable gloves 戴适当手套；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
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

  • Sigma Aldrich:1830-54-2(sigmaaldrich)
  • 图谱信息:1,3-丙酮二羧酸二甲酯(1830-54-2)核磁图( 1 HNMR) 1,3-丙酮二羧酸二甲酯(1830-54-2)红外图谱(IR1) 1,3-丙酮二羧酸二甲酯(1830-54-2)质谱(MS)
  • TCI Shanghai:1,3-丙酮二甲酸二甲酯 Dimethyl 1,3-Acetonedicarboxylate,>;95.0%(GC)(1830-54-2)
  • 1,3-丙酮二羧酸二甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0056 1,3-丙酮二甲酸二甲酯 Dimethyl 1,3-Acetonedicarboxylate 25G 352元 2014/06/02 A0056 1,3-丙酮二甲酸二甲酯 Dimethyl 1,3-Acetonedicarboxylate 500G 3280元 2010/06/21 SB00894FA 1,3-丙酮二羧酸二甲酯 dimethyl 3-oxopentanedioate 100 GR 705元
  • Alfa Aesar:3-氧代戊二酸二甲酯,97% Dimethyl acetone-1,3-dicarboxylate, 97%(1830-54-2)
  • Hazard Note:Irritant
  • 1,3-丙酮二羧酸二甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 A0056 1,3-丙酮二甲酸二甲酯 Dimethyl 1,3-Acetonedicarboxylate 25G 372元 2011/04/16 A0056 1,3-丙酮二甲酸二甲酯 Dimethyl 1,3-Acetonedicarboxylate 500G 3460元 2010/06/21 SB00894FA 1,3-丙酮二羧酸二甲酯 dimethyl 3-oxopentanedioate 100 GR 705元
  • Acros Organics:1，3-丙酮二羧酸二甲酯 Dimethyl 1,3-acetonedicarboxylate, 97%(1830-54-2)
  • MOL 文件:1830-54-2.mol
  • MSDS 信息:Dimethyl 3-oxoglutarate(1830-54-2).msds

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. C6 to C7 - 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. C2 to C5

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