trans,trans-Dibenzylideneacetone - CAS 35225-79-7

Name: trans,trans-Dibenzylideneacetone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB022536
Product Name:	trans,trans-Dibenzylideneacetone
CAS:	35225-79-7
Synonyms:	(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one

Technical Data

IUPAC Name:	(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
Description:	trans,trans-Dibenzylideneacetone (CAS# 35225-79-7) is a useful research chemical.
Molecular Weight:	234.29
Molecular Formula:	C17H14O
Canonical SMILES:	C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2
InChI:	InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+
InChI Key:	WMKGGPCROCCUDY-PHEQNACWSA-N
Boiling Point:	400.7 °C at 760 mmHg
Melting Point:	107-113 °C
Purity:	98 %
Density:	1.1 g/cm³
Appearance:	Yellow to yellow-green crystals, powder or crystalline powder
MDL:	MFCD00004790
LogP:	3.98230

GHS Hazard Statement:	H317 (98.11%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
23002017	20121105	Mechanism of the Pd-catalyzed decarboxylative allylation of α-imino esters: decarboxylation via free carboxylate ion	Chemistry (Weinheim an der Bergstrasse, Germany)
22440718	20120901	Synthesis of 2-(1,5-diaryl-1,4-pentadien-3-ylidene)-hydrazinecarboximidamide hydrochloride catalyzed by p-dodecylbenzenesulfonic acid in aqueous media under ultrasound irradiation	Ultrasonics sonochemistry
22860802	20120815	Controlled Pd(0)/t-Bu3P-catalyzed Suzuki cross-coupling polymerization of AB-type monomers with PhPd(t-Bu3P)I or Pd2(dba)3/t-Bu3P/ArI as the initiator	Journal of the American Chemical Society
22454367	20120601	Palladium-catalyzed annulation of 1,2-diborylalkenes and -arenes with 1-bromo-2-[(Z)-2-bromoethenyl]arenes: a modular approach to multisubstituted naphthalenes and fused phenanthrenes	Chemistry, an Asian journal
22239556	20120301	Effects of curcumin and related compounds on processes involving α-hydroxyethyl radicals	Free radical research

Complexity:	272
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	2
Exact Mass:	234.104465066
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.104465066
Rotatable Bond Count:	4
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1