74663-77-7,MFCD01862435
Catalog No.:AA003FDD

74663-77-7 | N,N'-(Butane-2,3-diylidene)bis(2,6-diisopropylaniline)

Pack Size
Purity
Availability
Price(USD)
Quantity
  
200mg
>98.0%(HPLC)
in stock  
$146.00   $102.00
- +
500mg
98%
in stock  
$192.00   $135.00
- +
2g
98%
in stock  
$463.00   $324.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003FDD
Chemical Name:
N,N'-(Butane-2,3-diylidene)bis(2,6-diisopropylaniline)
CAS Number:
74663-77-7
Molecular Formula:
C28H40N2
Molecular Weight:
404.6306
MDL Number:
MFCD01862435
SMILES:
CC(c1cccc(c1/N=C(/C(=N/c1c(cccc1C(C)C)C(C)C)/C)\C)C(C)C)C
Properties
Properties
 
Form:
Solid  
MP:
104-106℃  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
499  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
7.8  

Downstream Synthesis Route
24544-04-5    431-03-8   
1,4-bis(2,6-diisopropylphenyl)-2,3-dimethyl-1,4-diazabuta-1,3-diene 

[1]Peppas,Anastasios;Papadaki,Evanthia;Schnakenburg,Gregor;Magrioti,Victoria;Philippopoulos,AthanassiosI.[Polyhedron,2019,vol.171,p.412-422]

[2]VanAusdall,BretR.;Glass,JeremyL.;Wiggins,KellyM.;Aarif,AttaM.;Louie,Janis[JournalofOrganicChemistry,2009,vol.74,#20,p.7935-7942]

[3]Zhang,Chunming;Pan,Heqi;Klosin,Jerzy;Tu,Siyu;Jaganathan,Arvind;Fontaine,PhilipP.[OrganicProcessResearchandDevelopment,2015,vol.19,#10,p.1383-1391]

[4]Jones,GlenR.;BasbugAlhan,HaticeE.;Karas,LucasJ.;Wu,JudyI.;Harth,Eva[AngewandteChemie-InternationalEdition,2021,vol.60,#3,p.1635-1640][Angew.Chem.,2021,vol.133,#3,p.1659-1664,6]

[5]Locationinpatent:experimentalpartHe,Jingyu;Xin,Hongxing;Yan,Hong;Song,Xiuqing;Zhong,Rugang[HelveticaChimicaActa,2011,vol.94,#1,p.159-162]

[6]CurrentPatentAssignee:SUNYAT-SENUNIVERSITY(CHINA)-CN105153239,2018,BLocationinpatent:Paragraph0053-0054

[7]Wang,Hengbin;Lu,Gang;Sormunen,GrantJ.;Malik,HasnainA.;Liu,Peng;Montgomery,John[JournaloftheAmericanChemicalSociety,2017,vol.139,#27,p.9317-9324]

[8]Beillard,Audrey;Bantreil,Xavier;Métro,Thomas-Xavier;Martinez,Jean;Lamaty,Frédéric[DaltonTransactions,2016,vol.45,#44,p.17859-17866]

[9]Beillard,Audrey;Bantreil,Xavier;Métro,Thomas-Xavier;Martinez,Jean;Lamaty,Frédéric[NewJournalofChemistry,2017,vol.41,#3,p.1057-1063]

[10]Beillard,Audrey;Bantreil,Xavier;Métro,Thomas-Xavier;Martinez,Jean;Lamaty,Frédéric[GreenChemistry,2018,vol.20,#5,p.964-968]

[11]Chang,Yu-Chang;Lee,Yi-Chang;Chang,Meng-Fan;Hong,Fung-E.[JournalofOrganometallicChemistry,2016,vol.808,p.23-33]

[12]Furukawa,Takayuki;Tobisu,Mamoru;Chatani,Naoto[BulletinoftheChemicalSocietyofJapan,2017,vol.90,#3,p.332-342]

[13]Locationinpatent:bodytextBhadbhade,Mohan;Clentsmith,GuyK.B.;Field,LeslieD.[Organometallics,2010,vol.29,#23,p.6509-6517]

[14]Gao,Haiyang;Hu,Haibin;Zhu,Fangming;Wu,Qing[ChemicalCommunications,2012,vol.48,#27,p.3312-3314]

[15]Hu,Haibin;Zhang,Lei;Gao,Haiyang;Zhu,Fangming;Wu,Qing[Chemistry-AEuropeanJournal,2014,vol.20,#11,p.3225-3233]

[16]Liao,Heng;Zhong,Liu;Xiao,Zefan;Zheng,Ting;Gao,Haiyang;Wu,Qing[Chemistry-AEuropeanJournal,2016,vol.22,#39,p.14048-14055]

[17]Webster-Gardiner,MichaelS.;Piszel,PaigeE.;Fu,Ross;McKeown,BradleyA.;Nielsen,RobertJ.;Goddard,WilliamA.;Gunnoe,T.Brent[JournalofMolecularCatalysisA:Chemical,2017,vol.426,p.381-388]

[18]Klein,Philippe;Lechner,VivienDenise;Schimmel,Tanja;Hintermann,Lukas[Chemistry-AEuropeanJournal,2020,vol.26,#1,p.176-180]

[19]BasbugAlhan,HaticeE.;Harth,Eva;Jones,GlenR.[AngewandteChemie-InternationalEdition,2020,vol.59,#12,p.4743-4749][Angew.Chem.,2020,vol.132,#12,p.4773-4779,7]

[20]Dau,Huong;Keyes,Anthony;BasbugAlhan,HaticeE.;Ordonez,Estela;Tsogtgerel,Enkhjargal;Gies,AnthonyP.;Auyeung,Evelyn;Zhou,Zhe;Maity,Asim;Das,Anuvab;Powers,DavidC.;Beezer,DainB.;Harth,Eva[JournaloftheAmericanChemicalSociety,2020,vol.142,#51,p.21469-21483]

[21]Dau,Huong;Harth,Eva;Keyes,Anthony;Matyjaszewski,Krzysztof[AngewandteChemie-InternationalEdition,2022,vol.61,#10][Angew.Chem.,2022,vol.134,#10]

[1]Beillard,Audrey;Bantreil,Xavier;Métro,Thomas-Xavier;Martinez,Jean;Lamaty,Frédéric[GreenChemistry,2018,vol.20,#5,p.964-968]

[2]Hupf,Emanuel;Kaiser,Felix;Lummis,PaulA.;Roy,MatthewM.D.;McDonald,Robert;Ferguson,MichaelJ.;Kühn,FritzE.;Rivard,Eric[InorganicChemistry,2020,vol.59,#3,p.1592-1601]

[3]Locationinpatent:experimentalpartGaillard,Sylvain;Bantreil,Xavier;Slawin,AlexandraM.Z.;Nolan,StevenP.[DaltonTransactions,2009,#35,p.6967-6971]

[4]Wang,Hengbin;Lu,Gang;Sormunen,GrantJ.;Malik,HasnainA.;Liu,Peng;Montgomery,John[JournaloftheAmericanChemicalSociety,2017,vol.139,#27,p.9317-9324]

[5]Beillard,Audrey;Bantreil,Xavier;Métro,Thomas-Xavier;Martinez,Jean;Lamaty,Frédéric[DaltonTransactions,2016,vol.45,#44,p.17859-17866]

[1]Cao,Gao;Yang,Hai-Qing;Luo,Bao-Tian;Liu,Feng-Shou[JournalofOrganometallicChemistry,2013,vol.745-746,p.158-165]

74663-77-7   
CASUnavailable 
 
CASUnavailable 

[1]Supej,MichaelJ.;Volkov,Alexander;Darko,Louisa;West,RyanA.;Darmon,JonathanM.;Schulz,CharlesE.;Wheeler,KraigA.;Hoyt,HelenM.[Polyhedron,2016,vol.114,p.403-414]

[1]Liao,Heng;Zhong,Liu;Xiao,Zefan;Zheng,Ting;Gao,Haiyang;Wu,Qing[Chemistry-AEuropeanJournal,2016,vol.22,#39,p.14048-14055]

[2]Beillard,Audrey;Bantreil,Xavier;Métro,Thomas-Xavier;Martinez,Jean;Lamaty,Frédéric[NewJournalofChemistry,2017,vol.41,#3,p.1057-1063]

[3]CurrentPatentAssignee:SUNYAT-SENUNIVERSITY(CHINA)-CN105153239,2018,BLocationinpatent:Paragraph0060-0061

[4]Dolinar,BrianS.;Samedov,Kerim;Maloney,AndrewG.P.;West,Robert;Khrustalev,VictorN.;Guzei,IliaA.[ActaCrystallographicaSectionC:StructuralChemistry,2018,vol.74,p.54-61]

Literature
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Tags:74663-77-7 Molecular Formula|74663-77-7 MDL|74663-77-7 SMILES|74663-77-7 N,N'-(Butane-2,3-diylidene)bis(2,6-diisopropylaniline)
Catalog No.: AA003FDD
74663-77-7,MFCD01862435
74663-77-7 | N,N'-(Butane-2,3-diylidene)bis(2,6-diisopropylaniline)
Pack Size: 200mg
Purity: >98.0%(HPLC)
in stock
$146.00 $102.00
Pack Size: 500mg
Purity: 98%
in stock
$192.00 $135.00
Pack Size: 2g
Purity: 98%
in stock
$463.00 $324.00
Quantity
- +
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Technical Information
Catalog Number: AA003FDD
Chemical Name: N,N'-(Butane-2,3-diylidene)bis(2,6-diisopropylaniline)
CAS Number: 74663-77-7
Molecular Formula: C28H40N2
Molecular Weight: 404.6306
MDL Number: MFCD01862435
SMILES: CC(c1cccc(c1/N=C(/C(=N/c1c(cccc1C(C)C)C(C)C)/C)\C)C(C)C)C
Properties
Form: Solid  
MP: 104-106℃  
Storage: Inert atmosphere;2-8℃;  
Complexity: 499  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 30  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 7  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 7.8  
Downstream Synthesis Route
24544-04-5    431-03-8   
1,4-bis(2,6-diisopropylphenyl)-2,3-dimethyl-1,4-diazabuta-1,3-diene 

[1]Peppas,Anastasios;Papadaki,Evanthia;Schnakenburg,Gregor;Magrioti,Victoria;Philippopoulos,AthanassiosI.[Polyhedron,2019,vol.171,p.412-422]

[2]VanAusdall,BretR.;Glass,JeremyL.;Wiggins,KellyM.;Aarif,AttaM.;Louie,Janis[JournalofOrganicChemistry,2009,vol.74,#20,p.7935-7942]

[3]Zhang,Chunming;Pan,Heqi;Klosin,Jerzy;Tu,Siyu;Jaganathan,Arvind;Fontaine,PhilipP.[OrganicProcessResearchandDevelopment,2015,vol.19,#10,p.1383-1391]

[4]Jones,GlenR.;BasbugAlhan,HaticeE.;Karas,LucasJ.;Wu,JudyI.;Harth,Eva[AngewandteChemie-InternationalEdition,2021,vol.60,#3,p.1635-1640][Angew.Chem.,2021,vol.133,#3,p.1659-1664,6]

[5]Locationinpatent:experimentalpartHe,Jingyu;Xin,Hongxing;Yan,Hong;Song,Xiuqing;Zhong,Rugang[HelveticaChimicaActa,2011,vol.94,#1,p.159-162]

[6]CurrentPatentAssignee:SUNYAT-SENUNIVERSITY(CHINA)-CN105153239,2018,BLocationinpatent:Paragraph0053-0054

[7]Wang,Hengbin;Lu,Gang;Sormunen,GrantJ.;Malik,HasnainA.;Liu,Peng;Montgomery,John[JournaloftheAmericanChemicalSociety,2017,vol.139,#27,p.9317-9324]

[8]Beillard,Audrey;Bantreil,Xavier;Métro,Thomas-Xavier;Martinez,Jean;Lamaty,Frédéric[DaltonTransactions,2016,vol.45,#44,p.17859-17866]

[9]Beillard,Audrey;Bantreil,Xavier;Métro,Thomas-Xavier;Martinez,Jean;Lamaty,Frédéric[NewJournalofChemistry,2017,vol.41,#3,p.1057-1063]

[10]Beillard,Audrey;Bantreil,Xavier;Métro,Thomas-Xavier;Martinez,Jean;Lamaty,Frédéric[GreenChemistry,2018,vol.20,#5,p.964-968]

[11]Chang,Yu-Chang;Lee,Yi-Chang;Chang,Meng-Fan;Hong,Fung-E.[JournalofOrganometallicChemistry,2016,vol.808,p.23-33]

[12]Furukawa,Takayuki;Tobisu,Mamoru;Chatani,Naoto[BulletinoftheChemicalSocietyofJapan,2017,vol.90,#3,p.332-342]

[13]Locationinpatent:bodytextBhadbhade,Mohan;Clentsmith,GuyK.B.;Field,LeslieD.[Organometallics,2010,vol.29,#23,p.6509-6517]

[14]Gao,Haiyang;Hu,Haibin;Zhu,Fangming;Wu,Qing[ChemicalCommunications,2012,vol.48,#27,p.3312-3314]

[15]Hu,Haibin;Zhang,Lei;Gao,Haiyang;Zhu,Fangming;Wu,Qing[Chemistry-AEuropeanJournal,2014,vol.20,#11,p.3225-3233]

[16]Liao,Heng;Zhong,Liu;Xiao,Zefan;Zheng,Ting;Gao,Haiyang;Wu,Qing[Chemistry-AEuropeanJournal,2016,vol.22,#39,p.14048-14055]

[17]Webster-Gardiner,MichaelS.;Piszel,PaigeE.;Fu,Ross;McKeown,BradleyA.;Nielsen,RobertJ.;Goddard,WilliamA.;Gunnoe,T.Brent[JournalofMolecularCatalysisA:Chemical,2017,vol.426,p.381-388]

[18]Klein,Philippe;Lechner,VivienDenise;Schimmel,Tanja;Hintermann,Lukas[Chemistry-AEuropeanJournal,2020,vol.26,#1,p.176-180]

[19]BasbugAlhan,HaticeE.;Harth,Eva;Jones,GlenR.[AngewandteChemie-InternationalEdition,2020,vol.59,#12,p.4743-4749][Angew.Chem.,2020,vol.132,#12,p.4773-4779,7]

[20]Dau,Huong;Keyes,Anthony;BasbugAlhan,HaticeE.;Ordonez,Estela;Tsogtgerel,Enkhjargal;Gies,AnthonyP.;Auyeung,Evelyn;Zhou,Zhe;Maity,Asim;Das,Anuvab;Powers,DavidC.;Beezer,DainB.;Harth,Eva[JournaloftheAmericanChemicalSociety,2020,vol.142,#51,p.21469-21483]

[21]Dau,Huong;Harth,Eva;Keyes,Anthony;Matyjaszewski,Krzysztof[AngewandteChemie-InternationalEdition,2022,vol.61,#10][Angew.Chem.,2022,vol.134,#10]

50-00-0    74663-77-7    916480-65-4 

[1]Beillard,Audrey;Bantreil,Xavier;Métro,Thomas-Xavier;Martinez,Jean;Lamaty,Frédéric[GreenChemistry,2018,vol.20,#5,p.964-968]

[2]Hupf,Emanuel;Kaiser,Felix;Lummis,PaulA.;Roy,MatthewM.D.;McDonald,Robert;Ferguson,MichaelJ.;Kühn,FritzE.;Rivard,Eric[InorganicChemistry,2020,vol.59,#3,p.1592-1601]

[3]Locationinpatent:experimentalpartGaillard,Sylvain;Bantreil,Xavier;Slawin,AlexandraM.Z.;Nolan,StevenP.[DaltonTransactions,2009,#35,p.6967-6971]

[4]Wang,Hengbin;Lu,Gang;Sormunen,GrantJ.;Malik,HasnainA.;Liu,Peng;Montgomery,John[JournaloftheAmericanChemicalSociety,2017,vol.139,#27,p.9317-9324]

[5]Beillard,Audrey;Bantreil,Xavier;Métro,Thomas-Xavier;Martinez,Jean;Lamaty,Frédéric[DaltonTransactions,2016,vol.45,#44,p.17859-17866]

100-44-7    74663-77-7    1479039-17-2 

[1]Cao,Gao;Yang,Hai-Qing;Luo,Bao-Tian;Liu,Feng-Shou[JournalofOrganometallicChemistry,2013,vol.745-746,p.158-165]

74663-77-7   
CASUnavailable 
 
CASUnavailable 

[1]Supej,MichaelJ.;Volkov,Alexander;Darko,Louisa;West,RyanA.;Darmon,JonathanM.;Schulz,CharlesE.;Wheeler,KraigA.;Hoyt,HelenM.[Polyhedron,2016,vol.114,p.403-414]

74663-77-7    355376-23-7 

[1]Liao,Heng;Zhong,Liu;Xiao,Zefan;Zheng,Ting;Gao,Haiyang;Wu,Qing[Chemistry-AEuropeanJournal,2016,vol.22,#39,p.14048-14055]

[2]Beillard,Audrey;Bantreil,Xavier;Métro,Thomas-Xavier;Martinez,Jean;Lamaty,Frédéric[NewJournalofChemistry,2017,vol.41,#3,p.1057-1063]

[3]CurrentPatentAssignee:SUNYAT-SENUNIVERSITY(CHINA)-CN105153239,2018,BLocationinpatent:Paragraph0060-0061

[4]Dolinar,BrianS.;Samedov,Kerim;Maloney,AndrewG.P.;West,Robert;Khrustalev,VictorN.;Guzei,IliaA.[ActaCrystallographicaSectionC:StructuralChemistry,2018,vol.74,p.54-61]

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