Triethyl methanetricarboxylate - CAS 6279-86-3
Catalog:
BB031806
Product Name:
Triethyl methanetricarboxylate
CAS:
6279-86-3
Synonyms:
triethyl methanetricarboxylate
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BB031806
500 g
$619
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IUPAC Name: triethyl methanetricarboxylate
Description: Triethyl methanetricarboxylate (CAS# 6279-86-3) is used in the synthesis of novel inhibitors of Hsp90. It is also used in the preparation of novel dihydroquinoline-3-carboxylic acids that function as HIV-1 integrase inhibitors.
Molecular Weight: 232.23
Molecular Formula: C10H16O6
Canonical SMILES: CCOC(=O)C(C(=O)OCC)C(=O)OCC
InChI: 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
Boiling Point: 253 °C
Melting Point: 29 °C
Purity: 95 %
Density: 1.095 g/cm3
Appearance: After melting, clear colorless solid.
Storage: Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL: MFCD00009150
LogP: 0.29190
Publication Number Title Priority Date
CN-113045471-A Improved ketorolac intermediate preparation method 20210319
WO-2021210586-A1 Condensed heterocyclic compound 20200414
JP-2021130079-A Liquid fixed quantity discharge device 20200218
WO-2021158481-A1 Substituted 1,1'-biphenyl compounds and methods using same 20200203
EP-3815861-A1 Razor cartridge 20191031
PMID Publication Date Title Journal
15064792 20040421 Selective addition to [60]fullerene of two different radicals generated from Mn(III)-based radical reaction Organic & biomolecular chemistry
14961626 20040219 Stereoselective carbon-carbon bond formation via the Mitsunobu displacement of chiral secondary benzylic alcohols Organic letters
Complexity: 217
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 232.09468823
Formal Charge: 0
Heavy Atom Count: 16
Hydrogen Bond Acceptor Count: 6
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 232.09468823
Rotatable Bond Count: 9
Topological Polar Surface Area: 78.9
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.4
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