Dimethyl 2-Methylmalonate - CAS 609-02-9

Catalog:	BB030852
Product Name:	Dimethyl 2-Methylmalonate
CAS:	609-02-9
Synonyms:	2-methylpropanedioic acid dimethyl ester; dimethyl 2-methylpropanedioate

Technical Data

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Computed Properties

IUPAC Name:	dimethyl 2-methylpropanedioate
Description:	Dimethyl 2-Methylmalonate (CAS# 609-02-9) is a useful research chemical compound.
Molecular Weight:	146.14
Molecular Formula:	C6H10O4
Canonical SMILES:	CC(C(=O)OC)C(=O)OC
InChI:	InChI=1S/C6H10O4/c1-4(5(7)9-2)6(8)10-3/h4H,1-3H3
InChI Key:	LRBPFPZTIZSOGG-UHFFFAOYSA-N
Boiling Point:	176-177 °C
Density:	1.098 g/cm³
LogP:	-0.03150

Publication Number	Title	Priority Date
WO-2021119606-A1	Flow chemistry synthesis of isocyanates	20191212
WO-2021026273-A1	Scaleable preparation of polyketides	20190806
US-2021032759-A1	Corrosion inhibitor composition and methods of inhibiting corrosion during acid pickling	20190730
US-2020369951-A1	Methods of inhibiting corrosion with acidic treatment fluids	20190521
US-2020339871-A1	Methods of inhibiting corrosion in acid stimulation operations	20190429

PMID	Publication Date	Title	Journal
19763860	20100801	Multicomponent reactions of dimethyl methoxymalonate and dialkyl acetylenedicarboxylate in the presence of N-nucleophiles: one-pot synthesis of 2H-pyridinyl-2-butenedioates in water	Molecular diversity
12054956	20020614	Preparation of ferrocene-containing phosphinamine ligands possessing central and planar chirality and their application in palladium-catalyzed asymmetric allylic alkylation	The Journal of organic chemistry
11975526	20020503	Solvent-dependent dynamic kinetic asymmetric transformation/kinetic resolution in molybdenum-catalyzed asymmetric allylic alkylations	The Journal of organic chemistry

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Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.0579088
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	146.0579088
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7