Tetramethyl-1,3-cyclobutanedione - CAS 933-52-8

Catalog:	BB040856
Product Name:	Tetramethyl-1,3-cyclobutanedione
CAS:	933-52-8
Synonyms:	2,2,4,4-tetramethylcyclobutane-1,3-dione

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Computed Properties

IUPAC Name:	2,2,4,4-tetramethylcyclobutane-1,3-dione
Description:	Tetramethyl-1,3-cyclobutanedione (CAS# 933-52-8) is a useful research chemical.
Molecular Weight:	140.18
Molecular Formula:	C8H12O2
Canonical SMILES:	CC1(C(=O)C(C1=O)(C)C)C
InChI:	InChI=1S/C8H12O2/c1-7(2)5(9)8(3,4)6(7)10/h1-4H3
InChI Key:	RGCDVHNITQEYPO-UHFFFAOYSA-N
Boiling Point:	95-159 °C / 750 mmHg (lit.)
Density:	0.995 g/cm³
Appearance:	White crystalline solid
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00001331
LogP:	1.19060

Publication Number	Title	Priority Date
CN-113426457-A	Catalyst for preparing alcohol by ketone hydrogenation and preparation method and application thereof	20210513
CN-112457170-A	Preparation method of 2,2,4, 4-tetramethyl-1, 3-cyclobutanediol	20210126
CN-112457170-B	Preparation method of 2,2,4, 4-tetramethyl-1, 3-cyclobutanediol	20210126
CN-112047813-A	Production method of 2,2,4, 4-tetramethyl-1, 3-cyclobutanediol	20200818
CN-112023919-A	Catalyst, device and method for preparing high cis-trans ratio 2,2,4, 4-tetramethyl-1, 3-cyclobutanediol	20200730

PMID	Publication Date	Title	Journal
19354324	20090417	Multicomponent reactions of cyclobutanones	The Journal of organic chemistry

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Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.083729621
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	140.083729621
Rotatable Bond Count:	0
Topological Polar Surface Area:	34.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7