21889-89-4,MFCD17926441
Catalog No.:AA00CBF6

21889-89-4 | 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00CBF6
Chemical Name:
6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one
CAS Number:
21889-89-4
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD17926441
SMILES:
CC12CCCC(=O)C1O2
Properties
Computed Properties
 
Complexity:
164  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.4  

Downstream Synthesis Route

[1]Bortolini,Olga;Campestrini,Sandro;Conte,Valeria;Fantin,Giancarlo;Fogagnolo,Marco;Maietti,Silvia[EuropeanJournalofOrganicChemistry,2003,#24,p.4804-4809]

[2]Yates,Peter;Langford,GordonE.[CanadianJournalofChemistry,1981,vol.59,p.344-355]

[3]Drian,ClaudeLe;Greene,AndrewE.[JournaloftheAmericanChemicalSociety,1982,vol.104,#20,p.5473-5483]

[4]Honma,Takayuki;Nakajo,Michiko;Mizugaki,Tomoo;Ebitani,Kohki;Kaneda,Kiyotomi[TetrahedronLetters,2002,vol.43,#35,p.6229-6232]

[5]Trost,BarryM.;Bartlett,MarkJ.[OrganicLetters,2012,vol.14,#5,p.1322-1325]

[6]Trost,BarryM.;Bartlett,MarkJ.;Weiss,AndrewH.;Vonwangelin,AxelJacobi;Chan,VincentS.[Chemistry-AEuropeanJournal,2012,vol.18,#51,p.16498-16509]

[7]Locationinpatent:experimentalpartKim,Juhyun;Jung,Suhyun;Park,Seongsoon;Park,Sojung[TetrahedronLetters,2011,vol.52,#22,p.2866-2868]

[8]Yamaguchi,Kazuya;Mori,Kohsuke;Mizugaki,Tomoo;Ebitani,Kohki;Kaneda,Kiyotomi[JournalofOrganicChemistry,2000,vol.65,#21,p.6897-6903]

[9]Rozen,Shlomo;Kol,Moshe[JournalofOrganicChemistry,1990,vol.55,#17,p.5155-5159]

[10]Yadav;Kapoor[Tetrahedron,1995,vol.51,#31,p.8573-8584]

[11]Miyashita,Masaaki;Suzuki,Toshio;Yoshikoshi,Akira[ChemistryLetters,1987,p.285-288]

[12]Zhang,Yuannian;Yang,Xin;Tang,Haidi;Liang,Dong;Wu,Jie;Huang,Dejian[GreenChemistry,2020,vol.22,#1,p.22-27]

[13]Yadav;Kapoor[Tetrahedron,1996,vol.52,#10,p.3659-3668]

[14]CurrentPatentAssignee:MERCK&COINC-WO2010/17046,2010,A1Locationinpatent:Page/Pagecolumn50;91

[15]Treibs[ChemischeBerichte,1933,vol.66,p.1483,1490]

[16]Sato,Tadashi;Kikuchi,Toshihiro;Tsujita,Hiroshi;Kaetsu,Atsushi;Sootome,Norio;Nishida,Ken-Ichiro;Tachibana,Kazutaka;Murayama,Eigoro[Tetrahedron,1991,vol.47,#20-21,p.3281-3304]

[17]Mandal,ArunK.;Mahajan,S.W.[Tetrahedron,1988,vol.44,#8,p.2293-2300]

[18]Tamura,Yasumitsu;Kawasaki,Tomomi;Yasuda,Hitoshi;Gohda,Noriko;Kita,Yasuyuki[JournaloftheChemicalSociety.PerkintransactionsI,1981,p.1577-1581]

[19]Jankowska,Renata;Mhehe,GeorgeL.;Liu,Hsing-Jang[ChemicalCommunications,1999,#16,p.1581-1582]

[20]Sankararaman;Ncsakumar[JournaloftheChemicalSociety.PerkintransactionsI,1999,#21,p.3173-3175]

[21]Righi,Giuliana;Bovicelli,Paolo;Sperandio,Anna[Tetrahedron,2000,vol.56,#12,p.1733-1737]

[22]Guerrab,Zineb;Daou,Boujemaâ;Fkih-Tetouani,Souad;Ahmar,Mohammed;Cazes,Bernard[TetrahedronLetters,2003,vol.44,#30,p.5727-5730]

[23]Gao,Qiang;Ding,Yong;Liu,Haitao;Suo,Jishuan[JournalofChemicalResearch,2005,#11,p.716-718]

[24]Tang,MichaelChi-Yung;Wong,Kwok-Yin;Chan,TakHang[ChemicalCommunications,2005,#10,p.1345-1347]

[25]Fegheh-Hassanpour,Younes;Ebrahim,Faisal;Arif,Tanzeel;Sintim,HermanO.;Claridge,TimothyD.W.;Amin,NaderT.;Hodgson,DavidM.[OrganicandBiomolecularChemistry,2018,vol.16,#16,p.2876-2884]

[1]Megati,Sreenivasulu;Rao,KrishnaG.S.[TetrahedronLetters,1995,vol.36,#32,p.5819-5822]

[1]AustralianJournalofChemistry,1990,vol.43,p.63-68

21889-89-4    349-58-6   
2-(3,5-bis(trifluoromethyl)phenoxy)-3-methylcyclohex-2-en-1-one 

[1]AngewandteChemie-InternationalEdition,2017,vol.56,p.9468-9472    Angew.Chem.,2017,vol.129,p.9596-9600,5

21889-89-4    349-58-6   
(4aR*,9bS*)-9b-methyl-7,9-bis(trifluoromethyl)-2,3,4a,9b-tetrahydrodibenzob,dfuran-4(1H)-one 

[1]AngewandteChemie-InternationalEdition,2017,vol.56,p.9468-9472    Angew.Chem.,2017,vol.129,p.9596-9600,5

Literature
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SDS
Tags:21889-89-4 Molecular Formula|21889-89-4 MDL|21889-89-4 SMILES|21889-89-4 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one
Catalog No.: AA00CBF6
21889-89-4,MFCD17926441
21889-89-4 | 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA00CBF6
Chemical Name: 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one
CAS Number: 21889-89-4
Molecular Formula: C7H10O2
Molecular Weight: 126.1531
MDL Number: MFCD17926441
SMILES: CC12CCCC(=O)C1O2
Properties
Complexity: 164  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 2  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.4  
Downstream Synthesis Route
1193-18-6    21889-89-4 

[1]Bortolini,Olga;Campestrini,Sandro;Conte,Valeria;Fantin,Giancarlo;Fogagnolo,Marco;Maietti,Silvia[EuropeanJournalofOrganicChemistry,2003,#24,p.4804-4809]

[2]Yates,Peter;Langford,GordonE.[CanadianJournalofChemistry,1981,vol.59,p.344-355]

[3]Drian,ClaudeLe;Greene,AndrewE.[JournaloftheAmericanChemicalSociety,1982,vol.104,#20,p.5473-5483]

[4]Honma,Takayuki;Nakajo,Michiko;Mizugaki,Tomoo;Ebitani,Kohki;Kaneda,Kiyotomi[TetrahedronLetters,2002,vol.43,#35,p.6229-6232]

[5]Trost,BarryM.;Bartlett,MarkJ.[OrganicLetters,2012,vol.14,#5,p.1322-1325]

[6]Trost,BarryM.;Bartlett,MarkJ.;Weiss,AndrewH.;Vonwangelin,AxelJacobi;Chan,VincentS.[Chemistry-AEuropeanJournal,2012,vol.18,#51,p.16498-16509]

[7]Locationinpatent:experimentalpartKim,Juhyun;Jung,Suhyun;Park,Seongsoon;Park,Sojung[TetrahedronLetters,2011,vol.52,#22,p.2866-2868]

[8]Yamaguchi,Kazuya;Mori,Kohsuke;Mizugaki,Tomoo;Ebitani,Kohki;Kaneda,Kiyotomi[JournalofOrganicChemistry,2000,vol.65,#21,p.6897-6903]

[9]Rozen,Shlomo;Kol,Moshe[JournalofOrganicChemistry,1990,vol.55,#17,p.5155-5159]

[10]Yadav;Kapoor[Tetrahedron,1995,vol.51,#31,p.8573-8584]

[11]Miyashita,Masaaki;Suzuki,Toshio;Yoshikoshi,Akira[ChemistryLetters,1987,p.285-288]

[12]Zhang,Yuannian;Yang,Xin;Tang,Haidi;Liang,Dong;Wu,Jie;Huang,Dejian[GreenChemistry,2020,vol.22,#1,p.22-27]

[13]Yadav;Kapoor[Tetrahedron,1996,vol.52,#10,p.3659-3668]

[14]CurrentPatentAssignee:MERCK&COINC-WO2010/17046,2010,A1Locationinpatent:Page/Pagecolumn50;91

[15]Treibs[ChemischeBerichte,1933,vol.66,p.1483,1490]

[16]Sato,Tadashi;Kikuchi,Toshihiro;Tsujita,Hiroshi;Kaetsu,Atsushi;Sootome,Norio;Nishida,Ken-Ichiro;Tachibana,Kazutaka;Murayama,Eigoro[Tetrahedron,1991,vol.47,#20-21,p.3281-3304]

[17]Mandal,ArunK.;Mahajan,S.W.[Tetrahedron,1988,vol.44,#8,p.2293-2300]

[18]Tamura,Yasumitsu;Kawasaki,Tomomi;Yasuda,Hitoshi;Gohda,Noriko;Kita,Yasuyuki[JournaloftheChemicalSociety.PerkintransactionsI,1981,p.1577-1581]

[19]Jankowska,Renata;Mhehe,GeorgeL.;Liu,Hsing-Jang[ChemicalCommunications,1999,#16,p.1581-1582]

[20]Sankararaman;Ncsakumar[JournaloftheChemicalSociety.PerkintransactionsI,1999,#21,p.3173-3175]

[21]Righi,Giuliana;Bovicelli,Paolo;Sperandio,Anna[Tetrahedron,2000,vol.56,#12,p.1733-1737]

[22]Guerrab,Zineb;Daou,Boujemaâ;Fkih-Tetouani,Souad;Ahmar,Mohammed;Cazes,Bernard[TetrahedronLetters,2003,vol.44,#30,p.5727-5730]

[23]Gao,Qiang;Ding,Yong;Liu,Haitao;Suo,Jishuan[JournalofChemicalResearch,2005,#11,p.716-718]

[24]Tang,MichaelChi-Yung;Wong,Kwok-Yin;Chan,TakHang[ChemicalCommunications,2005,#10,p.1345-1347]

[25]Fegheh-Hassanpour,Younes;Ebrahim,Faisal;Arif,Tanzeel;Sintim,HermanO.;Claridge,TimothyD.W.;Amin,NaderT.;Hodgson,DavidM.[OrganicandBiomolecularChemistry,2018,vol.16,#16,p.2876-2884]

21889-89-4    68-12-2    2951-10-2    170879-71-7 

[1]Megati,Sreenivasulu;Rao,KrishnaG.S.[TetrahedronLetters,1995,vol.36,#32,p.5819-5822]

21889-89-4    23456-78-2 

[1]AustralianJournalofChemistry,1990,vol.43,p.63-68

21889-89-4    349-58-6   
2-(3,5-bis(trifluoromethyl)phenoxy)-3-methylcyclohex-2-en-1-one 

[1]AngewandteChemie-InternationalEdition,2017,vol.56,p.9468-9472    Angew.Chem.,2017,vol.129,p.9596-9600,5

21889-89-4    349-58-6   
(4aR*,9bS*)-9b-methyl-7,9-bis(trifluoromethyl)-2,3,4a,9b-tetrahydrodibenzob,dfuran-4(1H)-one 

[1]AngewandteChemie-InternationalEdition,2017,vol.56,p.9468-9472    Angew.Chem.,2017,vol.129,p.9596-9600,5

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