(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 |
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 |
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 |
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