Home Other Building Blocks 2979-19-3
2979-19-3,MFCD00040178
Catalog No.:AA00327O

2979-19-3 | 3,3-Dimethylcyclohexanone

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1g
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5g
95%
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10g
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00327O
Chemical Name:
3,3-Dimethylcyclohexanone
CAS Number:
2979-19-3
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
MDL Number:
MFCD00040178
SMILES:
O=C1CCCC(C1)(C)C
Properties
Properties
 
BP:
170.6°C at 760 mmHg  
Form:
Liquid  
MP:
9.25°C (estimate)  
Refractive Index:
n20/D 1.449(lit.)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
125  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
XLogP3:
1.8  

Upstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,2015,vol.137,#50,p.15833-15842

[1]Patent:CN106565706,2017,A,

[2]Patent:CN108658983,2018,A,

[1]Patent:US2011/306599,2011,A1,

[2]Patent:WO2013/30138,2013,A1,

[3]Patent:WO2014/41518,2014,A1,

Downstream Synthesis Route

[1]Chavanne;Miller;Cornet[BulletindesSocietesChimiquesBelges,1931,vol.40,p.673,674,678]

[2]Crossley;Renouf[JournaloftheChemicalSociety,1907,vol.91,p.74]

[3]Crossley;Renouf[JournaloftheChemicalSociety,1907,vol.91,p.74]

[4]Davis,B.R.;Woodgate,P.D.[JournaloftheChemicalSociety,1965,p.5943-5948]

[5]Fleming,Ian;Pearce,Andrew[JournaloftheChemicalSociety.PerkintransactionsI,1980,p.2485-2489]

[6]CurrentPatentAssignee:ALMIRALLSA-WO2010/97172,2010,A1Locationinpatent:Page/Pagecolumn15

[1]Reetz,ManfredT.;Kindler,Alois[JournalofOrganometallicChemistry,1995,vol.502,#1-2,p.C5-C7]

[2]Jirgensons,Aigars;Kauss,Valerjans;Kalvinsh,Ivars;Gold,MarkusR.;Danysz,Wojciech;Parsons,ChrisG.;Quack,Gunter[EuropeanJournalofMedicinalChemistry,2000,vol.35,#6,p.555-565]

[3]Dean,Christopher;Whittaker,David[JournaloftheChemicalSociety.PerkintransactionsII,1991,#10,p.1541-1543]

[4]Buechi;Jeger;Ruzicka[HelveticaChimicaActa,1948,vol.31,p.241,245]

[5]Duerr,H.etal.[ChemischeBerichte,1965,vol.98,p.1858-1878]

[6]Jefford,C.W.etal.[HelveticaChimicaActa,1970,vol.53,p.1184-1194]

[7]ApSimon,J.W.etal.[CanadianJournalofChemistry,1978,vol.56,p.1646-1656]

[8]Chen,Tonghua;Shine,HenryJ.[JournalofOrganicChemistry,1996,vol.61,#14,p.4716-4719]

[9]CurrentPatentAssignee:SANOFI-US2010/75994,2010,A1Locationinpatent:Page/Pagecolumn27

[1]Gambacorta;Fabrizi;Bovicelli[Tetrahedron,1992,vol.48,#21,p.4459-4464]

[2]Nonoshita,Katsumasa;Maruoka,Keiji;Yamamoto,Hisashi[BulletinoftheChemicalSocietyofJapan,1988,vol.61,p.2241-2243]

[3]Auterinen[SuomenKemistilehtiB,1937,vol.10,p.22]

[4]Allanetal.[JournaloftheChemicalSociety,1959,p.2186,2192]

[5]House,H.O.;Kinloch,E.F.[JournalofOrganicChemistry,1974,vol.39,#9,p.1173-1182]

[6]Semmelhack,M.F.etal.[JournalofOrganicChemistry,1977,vol.42,#19,p.3180-3188]

[7]Davis,B.R.;Woodgate,P.D.[JournaloftheChemicalSociety,1965,p.5943-5948]

[8]Ramalingam,K.etal.[IndianJournalofChemistry,1972,vol.10,p.366-369]

[9]Menot,Bérengère;Salmon,Lionel;Bouquillon,Sandrine[EuropeanJournalofInorganicChemistry,2015,vol.2015,#27,p.4518-4523]

[1]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2016/151375,2016,A1Locationinpatent:Paragraph0419

[2]Wigfield,DonaldC.;Gowland,FrederickW.[JournalofOrganicChemistry,1980,vol.45,#4,p.653-658]

[3]Blanc[ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1907,vol.144,p.144][BulletindelaSocieteChimiquedeFrance,1908,vol.<4>3,p.785]

[4]Dean,Christopher;Whittaker,David[JournaloftheChemicalSociety.PerkintransactionsII,1991,#10,p.1541-1543]

[5]Chen,Tonghua;Shine,HenryJ.[JournalofOrganicChemistry,1996,vol.61,#14,p.4716-4719]

[6]Jacquier;Christol[BulletindelaSocieteChimiquedeFrance,1957,p.600,606]

[1]Ma,Jiaqi;Hong,Chao;Wan,Yan;Li,Meichao;Hu,Xinquan;Mo,Weimin;Hu,Baoxiang;Sun,Nan;Jin,Liqun;Shen,Zhenlu[TetrahedronLetters,2017,vol.58,#7,p.652-657]

[2]Forrest,T.P.;Thiel,J.[CanadianJournalofChemistry,1981,vol.59,p.2870-2875]

[3]v.Auwers;Lange[JustusLiebigsAnnalenderChemie,1913,vol.401,p.313][JustusLiebigsAnnalenderChemie,1915,vol.409,p.164]

[4]Champagne,J.etal.[CanadianJournalofChemistry,1964,vol.42,p.212-222]

[5]Berthelot,J.-P.etal.[BulletindelaSocieteChimiquedeFrance,1971,p.1896-1902]

[6]Khan,ImranA.;Saxena,AnilK.[JournalofOrganicChemistry,2013,vol.78,#23,p.11656-11669]

Literature

Title: A synthesis of the carbocyclic core of maoecrystal V.

Journal: Organic letters 20100702

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