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16691-79-5,MFCD00111095
Catalog No.:AA001WXZ

16691-79-5 | Dimethyl 2-oxo-4,5-diphenylcyclopenta-3,5-diene-1,3-dicarboxylate

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1g
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5g
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001WXZ
Chemical Name:
Dimethyl 2-oxo-4,5-diphenylcyclopenta-3,5-diene-1,3-dicarboxylate
CAS Number:
16691-79-5
Molecular Formula:
C21H16O5
Molecular Weight:
348.3487
MDL Number:
MFCD00111095
SMILES:
COC(=O)C1=C(c2ccccc2)C(=C(C1=O)C(=O)OC)c1ccccc1
Properties
Properties
 
Form:
Solid  
MP:
175℃  

Computed Properties
 
Complexity:
602  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
6  
XLogP3:
3.3  

Downstream Synthesis Route
6921-28-4    16691-79-5   
(2aR,9cS)-2-Oxo-9c-phenyl-3-prop-2-ynyl-2,3,4,9c-tetrahydro-3-aza-pentaleno1,6-abnaphthalene-1,2a-dicarboxylicaciddimethylester 

[1]Yoshitake;Yamaguchi;Kai;Akiyama;Handa;Jikyo;Harano[JournalofOrganicChemistry,2001,vol.66,#26,p.8902-8911]

16691-79-5    159087-46-4   
5'-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-4'-trimethylsilanyl-1,1';2',1''terphenyl-3',6'-dicarboxylicaciddimethylester 

[1]Synlett,2005,p.860-862

Literature

Title: Crystallographic evidence for cyclopropane ring formation in isotwistenes obtained by thermal cascade reactions of cyclopentadienone with acyclic conjugated dienes.

Journal: Chemical & pharmaceutical bulletin 20090701

Title: Cyclization of electron-deficient cyclopentadienone with 2-alkenyl and 2-alkynylamines via sequential pericyclic reaction pathway.

Journal: The Journal of organic chemistry 20011228

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SDS
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Tags:16691-79-5 Molecular Formula|16691-79-5 MDL|16691-79-5 SMILES|16691-79-5 Dimethyl 2-oxo-4,5-diphenylcyclopenta-3,5-diene-1,3-dicarboxylate