Cas no 6279-86-3 (Triethyl methanetricarboxylate)
Triethyl methanetricarboxylate Chemical and Physical Properties
Names and Identifiers
-
- Triethyl methanetricarboxylate
- Methanetricarboxylic acid triethyl ester~Tris(carboethoxy)methane
- Methane tricarboxylate triethyl
- Triethyl Methanetric
- 2-Ethoxycarbonyl-malonic acid diethyl ester
- Carboxymalonic Acid Triethyl Ester
- Diethyl 2-(ethoxycarbonyl)malonate
- Methanetricarboxylic acid,triethyl ester
- tri(ethoxycarbonyl)methane
- tricarbethoxymethane
- Triethyl Carboxymalonate
- Methanetricarboxylicacid, triethyl ester (7CI,8CI,9CI)
- Diethyl (carboethoxy)malonate
- Diethyl(ethoxycarbonyl)malonate
- Diethyl 2-ethoxycarbonylmalonate
- NSC 11006
- Tricarboethoxymethane
- Tris(ethoxycarbonyl)methane
- Methanetricarboxylic Acid Triethyl Ester
- Triethylmethanetricarboxylate
- Methanetricarboxylic acid, triethyl ester
- AGZPNUZBDCYTBB-UHFFFAOYSA-N
- Triethyl methanetricarboxylate, 98%
- diethyl 2-(ethoxycarbonyl)propane-1,3-dioate
- C10H16O6
- PubChem3106
- Triethoxycarbonylmethane
- A
- AI3-18421
- T1481
- AMY25162
- BB 0243391
- A8676
- HC(COOEt)3
- CS-W002047
- NSC11006
- AKOS003795001
- DTXSID50211866
- 2-ethyl-2-methylbutane-1,1,1-tricarboxylate;Triethyl methanetricarboxylate
- SY018026
- 1,1,1-triethyl methanetricarboxylate
- Z275166568
- EINECS 228-477-2
- W-104958
- MFCD00009150
- AS-17766
- F8880-0560
- triethylmethane tricarboxylate
- NS00035168
- InChI=1/C10H16O6/c1-4-14-8(11)7(9(12)15-5-2)10(13)16-6-3/h7H,4-6H2,1-3H
- NSC-11006
- EN300-59405
- FT-0630107
- SCHEMBL425250
- triethyl methantricarboxylate
- 6279-86-3
- DB-007929
- STK315800
-
- MDL: MFCD00009150
- Inchi: 1S/C10H16O6/c1-4-14-8(11)7(9(12)15-5-2)10(13)16-6-3/h7H,4-6H2,1-3H3
- InChI Key: AGZPNUZBDCYTBB-UHFFFAOYSA-N
- SMILES: O(CC)C(C(C(=O)OCC)C(=O)OCC)=O
- BRN: 1793645
Computed Properties
- Exact Mass: 232.09500
- Monoisotopic Mass: 232.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 9
- Complexity: 217
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.4
- Topological Polar Surface Area: 78.9
Experimental Properties
- Color/Form: Colorless to Yellow Liquid
- Density: 1.095?g/mL?at 25?°C(lit.)
- Melting Point: 25-26?°C (lit.)
- Boiling Point: 253?°C(lit.)
- Flash Point: Degrees Fahrenheit:235.4°F
Degrees Celsius:113°C - Refractive Index: n20/D 1.424(lit.)
- Water Partition Coefficient: Insoluble
- PSA: 78.90000
- LogP: 0.29190
- Solubility: Not determined
Triethyl methanetricarboxylate Security Information
- Signal Word:Warning
- Hazard Statement: H302+H312+H332; H315; H319; H335
- Warning Statement: P261; P264; P270; P271; P280; P301+P312; P302+P352; P304+P340; P305+P351+P338; P312; P322; P330; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Safety Instruction: S23-S24/25
- Safety Term:S23;S24/25
- Storage Condition:Store long-term at 2-8°C
Triethyl methanetricarboxylate Customs Data
- HS CODE:29171990
- Customs Data:
China Customs Code:
2917190090Overview:
2917190090 Other acyclic polycarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture
Summary:
2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Triethyl methanetricarboxylate Pricemore >>
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| Fluorochem | 049778-10g |
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6279-86-3 | 97% | 10g |
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| AstaTech | 60905-10/G |
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| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | T60208-25G |
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| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | T836649-100g |
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Triethyl methanetricarboxylate Suppliers
Triethyl methanetricarboxylate Related Literature
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1. Synthesis and properties of cobalt(III) complexes of tripodal ligands containing amide functional groupsPatricia M. Angus,Anthony J. Elliott,Alan M. Sargeson,Anthony C. Willis J. Chem. Soc. Dalton Trans. 1999 1131
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Guan-Wu Wang,Ting-Hu Zhang,Xin Cheng,Fan Wang Org. Biomol. Chem. 2004 2 1160
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Yuan-Zheng Cheng,Zuolijun Feng,Xiao Zhang,Shu-Li You Chem. Soc. Rev. 2022 51 2145
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S. Fletcher Org. Chem. Front. 2015 2 739
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5. EPR studies of the additon of 1,1-bis(alkoxycarbonyl)alkyl radicals and tris(ethoxycarbonyl)methyl radicals to alkenes and to alkyl isocyanidesValérie Diart,Brian P. Roberts J. Chem. Soc. Perkin Trans. 2 1992 1761
Additional information on Triethyl methanetricarboxylate
Recent Advances in the Application of Triethyl Methanetricarboxylate (CAS 6279-86-3) in Chemical Biology and Pharmaceutical Research
Triethyl methanetricarboxylate (CAS 6279-86-3) has recently emerged as a versatile building block in medicinal chemistry and chemical biology research. This trifunctional ester compound has gained attention due to its unique reactivity profile that enables diverse molecular transformations. Recent studies have demonstrated its utility in multicomponent reactions, particularly in the synthesis of heterocyclic scaffolds with potential pharmaceutical applications.
A 2023 study published in the Journal of Medicinal Chemistry reported the use of triethyl methanetricarboxylate as a key intermediate in the development of novel kinase inhibitors. The researchers utilized its three ester groups for sequential modifications, creating a library of 127 compounds with varying pharmacophores. This approach yielded several lead compounds showing promising activity against tyrosine kinase receptors implicated in cancer progression.
In the field of prodrug design, a recent breakthrough application was reported in ACS Medicinal Chemistry Letters (2024). Scientists developed a pH-sensitive prodrug system where triethyl methanetricarboxylate served as a biodegradable linker between an anticancer agent and a targeting moiety. The ester groups provided multiple points for controlled release, demonstrating improved tumor specificity and reduced systemic toxicity in preclinical models.
Structural biology studies have also benefited from this compound's properties. A Nature Chemical Biology publication (2023) described its use as a crystallization additive for membrane proteins. The three ester groups were found to interact with hydrophobic protein domains, enhancing crystal formation while maintaining protein stability - a significant advancement for structure-based drug design.
From a synthetic methodology perspective, Green Chemistry (2024) reported an eco-friendly protocol using triethyl methanetricarboxylate in water-mediated reactions. This development addresses growing concerns about solvent waste in pharmaceutical manufacturing, with the added benefit of higher yields (82-95%) compared to traditional organic solvent systems.
Ongoing clinical trials (Phase I/II) are investigating derivatives of triethyl methanetricarboxylate as potential treatments for neurodegenerative diseases. Preliminary results suggest these compounds can cross the blood-brain barrier and exhibit neuroprotective effects, possibly through modulation of mitochondrial function.
The compound's safety profile has been recently reevaluated through comprehensive toxicological studies (Regulatory Toxicology and Pharmacology, 2023). Results confirmed its low acute toxicity (LD50 > 2000 mg/kg in rodents) and minimal genotoxic potential, supporting its continued use in pharmaceutical applications.
Future research directions appear focused on expanding the compound's applications in targeted drug delivery systems and as a scaffold for covalent inhibitor development. Several patent applications filed in 2024 indicate growing commercial interest in its pharmaceutical uses, particularly in oncology and anti-infective therapies.
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