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145546-80-1,MFCD08693144
Catalog No.:AA001D3F

145546-80-1 | 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-, (2E)-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$45.00   $31.00
- +
1g
97%
in stock  
$99.00   $69.00
- +
5g
97%
in stock  
$345.00   $241.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001D3F
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-, (2E)-
CAS Number:
145546-80-1
Molecular Formula:
C24H27NO3
Molecular Weight:
377.4761
MDL Number:
MFCD08693144
SMILES:
COc1cc2c(cc1OC)C/C(=C\C1CCN(CC1)Cc1ccccc1)/C2=O
Properties
Computed Properties
 
Complexity:
560  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.2  

Downstream Synthesis Route
(E)-2-((1-benzylpiperidine-4-yl)methylene)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one 
  120014-06-4 

[1]CurrentPatentAssignee:TAIWANBIOTECHCO.,LTD.-EP2557077,2013,A1Locationinpatent:Paragraph0022;0023;0024;0025

[2]CurrentPatentAssignee:TAIWANBIOTECHCO.,LTD.-US2013/35490,2013,A1Locationinpatent:Paragraph0041-0050

[3]vanGreunen,DivanG.;Cordier,Werner;Nell,Margo;vanderWesthuyzen,Chris;Steenkamp,Vanessa;Panayides,Jenny-Lee;Riley,DarrenL.[EuropeanJournalofMedicinalChemistry,2017,vol.127,p.671-690]

[4]Rao,R.JanakiRama;Rao,A.K.S.Bhujanga;Murthy[SyntheticCommunications,2007,vol.37,#17,p.2847-2853]

[5]Laroche,Benjamin;Saito,Yuki;Ishitani,Haruro;Kobayashi,Shū[OrganicProcessResearchandDevelopment,2019,vol.23,#5,p.961-967]

Literature
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SDS
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Tags:145546-80-1 Molecular Formula|145546-80-1 MDL|145546-80-1 SMILES|145546-80-1 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-, (2E)-
Catalog No.: AA001D3F
145546-80-1,MFCD08693144
145546-80-1 | 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-, (2E)-
Pack Size： 250mg
Purity： 97%
in stock
$45.00 $31.00
Pack Size： 1g
Purity： 97%
in stock
$99.00 $69.00
Pack Size： 5g
Purity： 97%
in stock
$345.00 $241.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001D3F
Chemical Name: 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-, (2E)-
CAS Number: 145546-80-1
Molecular Formula: C24H27NO3
Molecular Weight: 377.4761
MDL Number: MFCD08693144
SMILES: COc1cc2c(cc1OC)C/C(=C\C1CCN(CC1)Cc1ccccc1)/C2=O
Properties
Complexity: 560  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 28  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.2  
Downstream Synthesis Route
(E)-2-((1-benzylpiperidine-4-yl)methylene)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one 
  120014-06-4 

[1]CurrentPatentAssignee:TAIWANBIOTECHCO.,LTD.-EP2557077,2013,A1Locationinpatent:Paragraph0022;0023;0024;0025

[2]CurrentPatentAssignee:TAIWANBIOTECHCO.,LTD.-US2013/35490,2013,A1Locationinpatent:Paragraph0041-0050

[3]vanGreunen,DivanG.;Cordier,Werner;Nell,Margo;vanderWesthuyzen,Chris;Steenkamp,Vanessa;Panayides,Jenny-Lee;Riley,DarrenL.[EuropeanJournalofMedicinalChemistry,2017,vol.127,p.671-690]

[4]Rao,R.JanakiRama;Rao,A.K.S.Bhujanga;Murthy[SyntheticCommunications,2007,vol.37,#17,p.2847-2853]

[5]Laroche,Benjamin;Saito,Yuki;Ishitani,Haruro;Kobayashi,Shū[OrganicProcessResearchandDevelopment,2019,vol.23,#5,p.961-967]

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