3,3',5,5'-Tetra-tert-butyl-4,4'-diphenoquinone - CAS 2455-14-3

Name: 3,3',5,5'-Tetra-tert-butyl-4,4'-diphenoquinone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018524
Product Name:	3,3',5,5'-Tetra-tert-butyl-4,4'-diphenoquinone
CAS:	2455-14-3
Synonyms:	2,6-ditert-butyl-4-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-1-cyclohexa-2,5-dienone; 2,6-ditert-butyl-4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one

Technical Data

IUPAC Name:	2,6-ditert-butyl-4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one
Description:	3,3',5,5'-Tetra-tert-butyl-4,4'-diphenoquinone (CAS# 2455-14-3) is an antioxident used in the prevention of aging/rusting in dyes, rubber and textiles. Metabolite of Probucol (P755100) an antilipemic. Probucol USP Related Compound A.
Molecular Weight:	408.62
Molecular Formula:	C28H40O2
Canonical SMILES:	CC(C)(C)C1=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C
InChI:	InChI=1S/C28H40O2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16H,1-12H3
InChI Key:	GQIGHOCYKUBBOE-UHFFFAOYSA-N
Boiling Point:	492.6 °C at 760 mmHg
Melting Point:	73 °C
Purity:	> 98.0 % (HPLC)
Density:	1.024 g/cm³
Solubility:	Soluble in Tetrahydrofuran
Appearance:	Red to dark blue to black powder to crystal
Storage:	Store under inert gas
MDL:	MFCD00051798
LogP:	7.33840

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112778328-A	N-heterocyclic carbene catalytic functionalized imine as novel 1, 4-dipole synthon and synthetic application thereof	20210104
CN-111960927-A	Method for preparing 3,3',5,5' -tetraalkyl-4, 4' -biphenol by catalytic hydrogenation	20200828
JP-2021110804-A	Electrophotographic photosensitive member and image forming apparatus	20200108
JP-2021107887-A	Electrophotographic photosensitive members, process cartridges and electrophotographic equipment	20191227
US-2021165337-A1	Image forming apparatus and image forming method	20191129

PMID	Publication Date	Title	Journal
30229906	20190401	A critical role of the transient receptor potential melastatin 2 channel in a positive feedback mechanism for reactive oxygen species-induced delayed cell death	Journal of cellular physiology
15722355	20050422	Probucol protects against hypochlorite-induced endothelial dysfunction: identification of a novel pathway of probucol oxidation to a biologically active intermediate	The Journal of biological chemistry
11703106	20011119	Three-coordinate copper(II)-phenolate complexes	Inorganic chemistry
11457392	20010606	Role of alkali metal cation size in the energy and rate of electron transfer to solvent-separated 1:1 [(M+)(acceptor)] (M+ = Li+, Na+, K+) ion pairs	Journal of the American Chemical Society

Complexity:	779
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	408.302830514
Formal Charge:	0
Heavy Atom Count:	30
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	408.302830514
Rotatable Bond Count:	4
Topological Polar Surface Area:	34.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	7.9