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200052-70-6,MFCD11044893
Catalog No.:AA003K4E

200052-70-6 | 4-(Dicyanomethylene)-2-tert-butyl-6-(1,1,7,7-tetramethyljulolidin-4-yl-vinyl)-4H-pyran

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100mg
98%
in stock  
$93.00   $65.00
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250mg
98%
in stock  
$155.00   $109.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003K4E
Chemical Name:
4-(Dicyanomethylene)-2-tert-butyl-6-(1,1,7,7-tetramethyljulolidin-4-yl-vinyl)-4H-pyran
CAS Number:
200052-70-6
Molecular Formula:
C30H35N3O
Molecular Weight:
453.6184
MDL Number:
MFCD11044893
SMILES:
N#CC(=C1C=C(C=Cc2cc3c4c(c2)C(C)(C)CCN4CCC3(C)C)OC(=C1)C(C)(C)C)C#N
Properties
Properties
 
Form:
Solid  
MP:
298-303℃ (exp.)  

Computed Properties
 
Complexity:
1010  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
3  
XLogP3:
7.2  

Downstream Synthesis Route
2-(2-(tert-butyl)-6-methyl-4H-pyran-4-ylidene)malononitrile 
 
1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H-pyrido3,2,1-ijquinolin-9-carboxaldehyde 
  200052-70-6 

[1]Locationinpatent:schemeortableLee,KumHee;Kim,YoungKwan;Yoon,SeungSoo[BulletinoftheKoreanChemicalSociety,2011,vol.32,#4,p.1391-1394]Locationinpatent:schemeortableLee,KumHee;Oh,SuHyun;Park,MinHye;Kim,YoungKwan;Yoon,SeungSoo[MolecularCrystalsandLiquidCrystals,2011,vol.550,p.270-277]

[2]Jang,HeungSoo;Lee,KumHee;Na,EunJae;Yoon,SeungSoo;Kim,YoungKwan[MolecularCrystalsandLiquidCrystals,2012,vol.568,#1,p.1-7,7]

[3]Lee,KumHee;Yoon,SeungSoo;Kim,YoungKwan[BulletinoftheKoreanChemicalSociety,2012,vol.33,#10,p.3433-3436,4]

Literature
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SDS
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Tags:200052-70-6 Molecular Formula|200052-70-6 MDL|200052-70-6 SMILES|200052-70-6 4-(Dicyanomethylene)-2-tert-butyl-6-(1,1,7,7-tetramethyljulolidin-4-yl-vinyl)-4H-pyran