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5405-79-8,MFCD00027140
Catalog No.:AA003F8N

5405-79-8 | 2,2-Dimethyl-3-hexanone

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1g
95%
in stock  
$47.00   $33.00
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5g
95%
in stock  
$183.00   $128.00
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25g
95%
in stock  
$743.00   $520.00
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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:
AA003F8N
Chemical Name:
2,2-Dimethyl-3-hexanone
CAS Number:
5405-79-8
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
MDL Number:
MFCD00027140
SMILES:
CCCC(=O)C(C)(C)C
NSC Number:
5229
Properties
Properties
 
BP:
147.0°C  
Form:
Liquid  

Computed Properties
 
Complexity:
97.6  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.2  

Downstream Synthesis Route

[1]Yamada,YoichiM.A.;Jin,ChungKeun;Uozumi,Yasuhiro[OrganicLetters,2010,vol.12,#20,p.4540-4543]

[2]Locationinpatent:experimentalpartMello,Rossella;Martinez-Ferrer,Jaime;Alcalde-Aragones,Ana;Varea,Teresa;Acerete,Rafael;Gonzalez-Nunez,MariaElena;Asensio,Gregorio[JournalofOrganicChemistry,2011,vol.76,#24,p.10129-10139]

[3]Heathcock,,ClaytonH.;Lampe,John[JournalofOrganicChemistry,1983,vol.48,#23,p.4330-4337]

[4]Mosher;Langerak[JournaloftheAmericanChemicalSociety,1949,vol.71,p.287]

[5]Leroide[AnnalesdeChimie(Cachan,France),1921,vol.<9>16,p.365]

[6]Wang,Dan-Jun;Chen,Bei-Yi;Wang,Yi-Qi;Zhang,Xiao-Wei[EuropeanJournalofOrganicChemistry,2018,vol.2018,#11,p.1342-1346]

[1]Stutsman;Adkins[JournaloftheAmericanChemicalSociety,1939,vol.61,p.3306]

[1]Whitmore;Noll;Meunier[JournaloftheAmericanChemicalSociety,1939,vol.61,p.684]

[1]Haller;Bauer[ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1910,vol.150,p.588][AnnalesdeChimie(Cachan,France),1913,vol.<8>29,p.330]

[2]Yamamura,Tomoya;Nakatsuka,Hiroshi;Tanaka,Shinji;Kitamura,Masato[AngewandteChemie-InternationalEdition,2013,vol.52,#35,p.9313-9315][Angew.Chem.,2013,vol.125,#35,p.9483-9485]

[1]CurrentPatentAssignee:ELILILLY&CO-WO2006/69153,2006,A2Locationinpatent:Page/Pagecolumn38-39

[2]Colonge;Grenet[BulletindelaSocieteChimiquedeFrance,1954,p.1304,1307]

[3]Powell;Wasserman[JournaloftheAmericanChemicalSociety,1957,vol.79,p.1934,1938]

[4]Fellmann,P.;Dubois,J.-E.[Tetrahedron,1978,vol.34,p.1349-1357]

[5]Colonge,J.;Dubin,J.-C.[BulletindelaSocieteChimiquedeFrance,1960,p.1180-1186]Dubois,J.-E.etal.[BulletindelaSocieteChimiquedeFrance,1966,p.3578-3584]

Literature

Title: Variability of non-polar secondary metabolites in the red alga Portieria.

Journal: Marine drugs 20110101

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Tags:5405-79-8 Molecular Formula|5405-79-8 MDL|5405-79-8 SMILES|5405-79-8 2,2-Dimethyl-3-hexanone