2,2,5-Trimethyl-1,3-dioxane-4,6-dione - CAS 3709-18-0

Name: 2,2,5-Trimethyl-1,3-dioxane-4,6-dione
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	2,2,5-trimethyl-1,3-dioxane-4,6-dione
Description:	2,2,5-Trimethyl-1,3-dioxane-4,6-dione (CAS# 3709-18-0) is used as a reagent in the synthesis of 3',4'-bis-difluoromethoxycinnamoylanthranilate (FT061) which is an orally-active antifibrotic agent that reduces albuminuria in rat models of progressive diabetic nephropathy.
Molecular Weight:	158.15
Molecular Formula:	C7H10O4
Canonical SMILES:	CC1C(=O)OC(OC1=O)(C)C
InChI:	InChI=1S/C7H10O4/c1-4-5(8)10-7(2,3)11-6(4)9/h4H,1-3H3
InChI Key:	KJMCAXYHYPDRAV-UHFFFAOYSA-N
Boiling Point:	343.6 °C at 760 mmHg
Density:	1.13 g/cm³
LogP:	0.45860

Publication Number	Title	Priority Date
WO-2020142764-A1	Htra inhibitors and caga inhibitors and use thereof	20190106
EP-3643401-A1	Cobalt catalyst comprising a support with a mixed oxide phase containing cobalt and/or nickel prepared from a dilactone compound	20181025
EP-3643767-A1	Fischer-tropsch synthesis method comprising a catalyst prepared by adding a gaseous-phase organic compound	20181025
US-2020129966-A1	Cobalt catalyst comprising a support comprising a mixed oxide phase including cobalt and/or nickel produced from a dilactone compound	20181025
US-2020131441-A1	Fischer-tropsch synthesis process comprising a catalyst prepared by addition of an organic compound in gas phase	20181025

Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.0579088
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	158.0579088
Rotatable Bond Count:	0
Topological Polar Surface Area:	52.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2