(Z)-1,3-Diiodo-2-butene - CAS 134005-20-2

Catalog:	BB007855
Product Name:	(Z)-1,3-Diiodo-2-butene
CAS:	134005-20-2
Synonyms:	(Z)-1,3-diiodo-2-butene; (Z)-1,3-diiodobut-2-ene

Technical Data

Patents

Computed Properties

IUPAC Name:	1,3-diiodobut-2-ene
Description:	(Z)-1,3-Diiodo-2-butene (CAS# 134005-20-2) is used as a reactant in the syntheses of key building blocks used in the preparation of 12,13-desoxyepothilone B, an antitumor agent.
Molecular Weight:	307.90
Molecular Formula:	C4H6I2
Canonical SMILES:	CC(=CCI)I
InChI:	InChI=1S/C4H6I2/c1-4(6)2-3-5/h2H,3H2,1H3/b4-2-
InChI Key:	MTIFMNTZMLZREE-RQOWECAXSA-N
LogP:	2.76020

Publication Number	Title	Priority Date
US-2004053995-A1	Synthesis of epothilones, intermediates thereto and analogues thereof	20020823
US-2005143429-A1	Synthesis of epothilones, intermediates thereto, analogues and uses thereof	20020823
US-2009149516-A1	Synthesis of Epothilones, Intermediates Thereto, Analogues and Uses Thereof	20020823
US-2010197746-A1	Synthesis of epothilones, intermediates thereto and analogues thereof	20020823
US-2014213618-A1	Synthesis of epothilones, intermediates thereto and analogues thereof	20020823

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Complexity:	56.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	307.8559
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	307.8559
Rotatable Bond Count:	1
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	1
XLogP3:	3.2