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Home Aldehydes 116546-04-4
116546-04-4,MFCD07186317
Catalog No.:AA000CNR

116546-04-4 | 3-[(Dimethylamino)methyl]-4-hydroxybenzaldehyde

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100mg
≥ 95% (LCMS)
in stock  
$112.00   $79.00
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1g
95%
in stock  
$123.00   $86.00
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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:
AA000CNR
Chemical Name:
3-[(Dimethylamino)methyl]-4-hydroxybenzaldehyde
CAS Number:
116546-04-4
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD07186317
SMILES:
O=Cc1ccc(c(c1)CN(C)C)O
Properties
Computed Properties
 
Complexity:
170  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
0.9  

Downstream Synthesis Route

[1]Perumattam,John[SyntheticCommunications,1989,vol.19,#19,p.3367-3370]

116546-04-4   
(R)-(-)-N-<2,6-bis(1-methylethyl)phenyl>-N'-<2-amino-2-phenylethyl>ureahydrochloride 
 
1-(2,6-Diisopropyl-phenyl)-3-((R)-2-1-(3-dimethylaminomethyl-4-hydroxy-phenyl)-meth-(E)-ylidene-amino}-2-phenyl-ethyl)-urea 

[1]O'Brien;Sliskovic;Blankley;Roth;Wilson;Hamelehle;Krause;Stanfield[JournalofMedicinalChemistry,1994,vol.37,#12,p.1810-1822]

[1]O'Brien;Sliskovic;Blankley;Roth;Wilson;Hamelehle;Krause;Stanfield[JournalofMedicinalChemistry,1994,vol.37,#12,p.1810-1822]

14384-45-3    116546-04-4   
3-dimethylaminomethyl-4-hydroxyphenyl-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-1-yloxyl-3-oxide 

[1]Schatzschneider,Ulrich;Weyhermueller,Thomas;Rentschler,Eva[EuropeanJournalofInorganicChemistry,2001,#10,p.2569-2586]

[1]Zanaletti,Riccardo;Freccero,Mauro[ChemicalCommunications,2002,#17,p.1908-1909]

[2]Locationinpatent:experimentalpartHarada,Koichiro;Kubo,Hideki;Abe,Jun;Haneta,Mari;Conception,Arnel;Inoue,Shinichi;Okada,Satoshi;Nishioka,Kazuhiko[BioorganicandMedicinalChemistry,2012,vol.20,#10,p.3242-3254]

Literature
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SDS
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Tags:116546-04-4 Molecular Formula|116546-04-4 MDL|116546-04-4 SMILES|116546-04-4 3-[(Dimethylamino)methyl]-4-hydroxybenzaldehyde