| Identification | More | [Name]
TRIETHYL 1,1,2-ETHANETRICARBOXYLATE | [CAS]
7459-46-3 | [Synonyms]
LABOTEST-BB LT00452668
TRIETHYL 1,1,2-ETHANETRICARBOXYLATE
1,1,2-Tricarbethoxyethane
Ethane-1,1,2-tricarboxylic acid, triethyl ester
Triethyl ethane tricarboxylate
Triethyl ethane-1,2,2-tricarboxylate
2-(Ethoxycarbonyl)butanedioic Acid Diethyl Ester
Diethyl 2-(Ethoxycarbonyl)butanedioate
triethyl ethane-1,1,2-tricarboxylate
TETC
Triethyl 1,1,2-ethanetricarboxylate/1,1,2-Ethanetricarboxylic acid triethyl ester
Triethyl 1,1,2-ethanetricarboxylate ,99% | [EINECS(EC#)]
231-235-9 | [Molecular Formula]
C11H18O6 | [MDL Number]
MFCD00009154 | [Molecular Weight]
246.26 | [MOL File]
7459-46-3.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS LIQUID | [Boiling point ]
99 °C/0.5 mmHg (lit.) | [density ]
1.074 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.429(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform, Ethyl Acetate | [form ]
Liquid | [pka]
11.78±0.59(Predicted) | [color ]
Clear colorless | [Specific Gravity]
1.074 | [Detection Methods]
GC | [BRN ]
1796294 | [Dielectric constant]
6.5（19.0℃） | [InChI]
InChI=1S/C11H18O6/c1-4-15-9(12)7-8(10(13)16-5-2)11(14)17-6-3/h8H,4-7H2,1-3H3 | [InChIKey]
TVWZLLYAJDSSCJ-UHFFFAOYSA-N | [SMILES]
C(C(=O)OCC)(C(=O)OCC)CC(=O)OCC | [CAS DataBase Reference]
7459-46-3(CAS DataBase Reference) | [NIST Chemistry Reference]
1,1,2-Ethanetricarboxylic acid, triethyl ester(7459-46-3) |
| Safety Data | Back Directory | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [HS Code ]
29420000 |
| Hazard Information | Back Directory | [Description]
Triethyl 1,1,2-ethanetricarboxylate is a carboxylic acid ester compound that can be used in nanomaterials, pharmaceutical intermediates, organic synthesis and other fields. | [Chemical Properties]
CLEAR COLOURLESS LIQUID | [Uses]
1,1,2-Ethanetricarboxylic Acid 1,1,2-Triethyl Ester is a useful synthetic intermediate. It can be used to prepare Isobutylsuccinic Acid (I780660) which was used to synthesize succinimide derivatives as inhibitors of human leukocyte elastase, cathepsin G and proteinase 3. | [Synthesis]
Step a): Sodium metal (23 g, 1 mole) was slowly added to anhydrous ethanol (500 mL) under stirring conditions until completely dissolved. Subsequently, diethyl malonate (160 g, 1 mole) was added dropwise over 30 min. After cooling the reaction mixture to 15°C, ethyl chloroacetate (117 g, 0.095 mol) was added dropwise over the same time. After the dropwise addition, the reaction mixture was refluxed for 6 hours. After completion of the reaction, the mixture was poured into 2 liters of water and the organic phase was extracted with dichloromethane (500 mL each time, three times). The organic extracts were combined, dried with anhydrous sodium sulfate, filtered and the solvent was evaporated to give an oily crude product. Finally, purification by vacuum distillation afforded triethyl ethyl-1,1,2-tricarboxylate (220 g, 89% yield). | [References]
[1] Patent: WO2013/29767, 2013, A1. Location in patent: Page/Page column 16; 17
[2] Patent: CN105566111, 2016, A. Location in patent: Paragraph 0029-30
[3] Liebigs Annalen der Chemie, 1983, # 1, p. 112 - 136
[4] Patent: WO2012/92880, 2012, A1. Location in patent: Page/Page column 45-46
[5] Justus Liebigs Annalen der Chemie, 1882, vol. 214, p. 38 |
| Spectrum Detail | Back Directory | [Spectrum Detail]
TRIETHYL 1,1,2-ETHANETRICARBOXYLATE(7459-46-3)MS
TRIETHYL 1,1,2-ETHANETRICARBOXYLATE(7459-46-3)1HNMR
TRIETHYL 1,1,2-ETHANETRICARBOXYLATE(7459-46-3)13CNMR
TRIETHYL 1,1,2-ETHANETRICARBOXYLATE(7459-46-3)IR1
TRIETHYL 1,1,2-ETHANETRICARBOXYLATE(7459-46-3)Raman
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