Home Aldehydes 81995-28-0
81995-28-0,MFCD03422398
Catalog No.:AA004YTL

81995-28-0 | 2-(3-Methylbutoxy)benzaldehyde

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Technical Information
Catalog Number:
AA004YTL
Chemical Name:
2-(3-Methylbutoxy)benzaldehyde
CAS Number:
81995-28-0
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD03422398
SMILES:
O=Cc1ccccc1OCCC(C)C
NSC Number:
69103
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
166  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
3.4  

Downstream Synthesis Route

[1]Katzetal.[JournalofOrganicChemistry,1953,vol.18,p.1380,1400]

81995-28-0    2688-84-8   
2-(3-methyl-butoxy)-benzyl-(2-phenoxy-phenyl)-amine 

[1]Okubo,Taketoshi;Yoshikawa,Ryoko;Chaki,Shigeyuki;Okuyama,Shigeru;Nakazato,Atsuro[BioorganicandMedicinalChemistry,2004,vol.12,#2,p.423-438]

81995-28-0   
<i>N</i>-2-(3-methyl-butoxy)-benzyl-<i>N</i>-(2-phenoxy-phenyl)-acetamide 

[1]Okubo,Taketoshi;Yoshikawa,Ryoko;Chaki,Shigeyuki;Okuyama,Shigeru;Nakazato,Atsuro[BioorganicandMedicinalChemistry,2004,vol.12,#2,p.423-438]

81995-28-0    94363-57-2   
(E)-3-(2-(isopentyloxy)benzylidene)pyrrolidin-2-one 

[1]Delong,Wang;Lanying,Wang;Yongling,Wu;Shuang,Song;Juntao,Feng;Xing,Zhang[EuropeanJournalofMedicinalChemistry,2017,vol.130,p.286-307]

[1]Delong,Wang;Lanying,Wang;Yongling,Wu;Shuang,Song;Juntao,Feng;Xing,Zhang[EuropeanJournalofMedicinalChemistry,2017,vol.130,p.286-307]

[2]CurrentPatentAssignee:SINOBIOPHARMACEUTICALLIMITED-CN113582988,2021,ALocationinpatent:Paragraph0172-0176

Literature
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Tags:81995-28-0 Molecular Formula|81995-28-0 MDL|81995-28-0 SMILES|81995-28-0 2-(3-Methylbutoxy)benzaldehyde