Name: Name:3-Methyl-2-(3,4-dimethoxyphenyl)butyronitrile
Brand: AABLOCKS
SKU: AA002JNN
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA002JNN

Chemical Name: 3-Methyl-2-(3,4-dimethoxyphenyl)butyronitrile

CAS Number: 20850-49-1

Molecular Formula: C13H17NO2

Molecular Weight: 219.2796

MDL Number: MFCD00017563

SMILES: N#CC(c1ccc(c(c1)OC)OC)C(C)C

Properties

Complexity: 256

Covalently-Bonded Unit Count: 1

Heavy Atom Count: 16

Hydrogen Bond Acceptor Count: 3

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 1

XLogP3: 2.5

Downstream Synthesis Route

35573-93-4

20850-49-1

27339-24-8

[1]Butora,Gabriel;Blaha,Ludvik;Rajsner,Miroslav;Helfert,Ivan[CollectionofCzechoslovakChemicalCommunications,1992,vol.57,#9,p.1967-1981]

[2]CurrentPatentAssignee:TEVAPHARMACEUTICALINDUSTRIESLTD.-US2009/171110,2009,A1Locationinpatent:Page/Pagecolumn6

20850-49-1

109-70-6

27487-83-8

[1]Laguerre,M.;Boyer,C.;Carpy,A.;Panconi,E.;Cognic,F.;Vaugien,B.[EuropeanJournalofMedicinalChemistry,1990,vol.25,#4,p.351-359]

[2]Wang,Cheng;Wang,Tao;Zhou,Nan;Pan,Xiao-Yan;He,Huai-Zhen[JournalofAsianNaturalProductsResearch,2014,vol.16,#3,p.304-311]

[3]Singh,Kawaljit;Kumar,Malkeet;Pavadai,Elumalai;Naran,Krupa;Warner,DigbyF.;Ruminski,PeterG.;Chibale,Kelly[BioorganicandMedicinalChemistryLetters,2014,vol.24,#14,p.2985-2990]

[4]CurrentPatentAssignee:ROCHEHOLDINGAG-US4667038,1987,A

20850-49-1

106-96-7

2-(3,4-Dimethoxy-phenyl)-2-isopropyl-penta-3,4-dienenitrile

[1]Teodori,E.;Dei,S.;Romanelli,M.N.;Scapecchi,S.;Gualtieri,F.;etal.[EuropeanJournalofMedicinalChemistry,1994,vol.29,#2,p.139-148]

20850-49-1

106-96-7

229624-46-8

[1]Teodori,E.;Dei,S.;Romanelli,M.N.;Scapecchi,S.;Gualtieri,F.;etal.[EuropeanJournalofMedicinalChemistry,1994,vol.29,#2,p.139-148]

93-17-4

75-26-3

20850-49-1

[1]CurrentPatentAssignee:CHANGZHOUUNIVERSITY-CN113444020,2021,ALocationinpatent:Paragraph0005-0006;0020;0025-0026;0027;0032-0033...

[2]Evans,P.Andrew;Tom,Mai-Jan;Turnbull,BenW.H.[Synthesis,2020,vol.52,#15,p.2185-2189]

[3]Wang,Cheng;Wang,Tao;Zhou,Nan;Pan,Xiao-Yan;He,Huai-Zhen[JournalofAsianNaturalProductsResearch,2014,vol.16,#3,p.304-311]

[4]Chen,Long;Pu,Maoping;Li,Shiyang;Sang,Xinpeng;Liu,Xiaohua;Wu,Yun-Dong;Feng,Xiaoming[JournaloftheAmericanChemicalSociety,2021,vol.143,#45,p.19091-19098]

[5]Butora,Gabriel;Blaha,Ludvik;Rajsner,Miroslav;Helfert,Ivan[CollectionofCzechoslovakChemicalCommunications,1992,vol.57,#9,p.1967-1981]

[6]CurrentPatentAssignee:SHISEIDOCOMPANYLIMITED-EP1488776,2004,A1Locationinpatent:Page14

[7]Nishimoto,Yoshihiro;Nishimura,Takashi;Yasuda,Makoto[Chemistry-AEuropeanJournal,2015,vol.21,#50,p.18301-18308]

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[9]Singh,Kawaljit;Kumar,Malkeet;Pavadai,Elumalai;Naran,Krupa;Warner,DigbyF.;Ruminski,PeterG.;Chibale,Kelly[BioorganicandMedicinalChemistryLetters,2014,vol.24,#14,p.2985-2990]

[10]CurrentPatentAssignee:PFIZERINC-US4593042,1986,A

[11]CurrentPatentAssignee:PFIZERINC-US4681970,1987,A

[12]Pieroni,Marco;Machado,Diana;Azzali,Elisa;SantosCosta,Sofia;Couto,Isabel;Costantino,Gabriele;Viveiros,Miguel[JournalofMedicinalChemistry,2015,vol.58,#15,p.5842-5853]

[13]Laguerre,M.;Boyer,C.;Carpy,A.;Panconi,E.;Cognic,F.;Vaugien,B.[EuropeanJournalofMedicinalChemistry,1990,vol.25,#4,p.351-359]

[14]Mitani;Yoshida;Sakurai;Morikawa;Iwanaga;Koshinaka;Kato;Ito[ChemicalandPharmaceuticalBulletin,1988,vol.36,#1,p.373-385]

[15]CurrentPatentAssignee:MILESTONEPHARMACEUTICALS-WO2008/156820,2008,A1Locationinpatent:Page/Pagecolumn51

[16]CurrentPatentAssignee:MILESTONEPHARMACEUTICALSINC;MILESTONEPHARMACEUTICALS-WO2016/165014,2016,A1Locationinpatent:Page/Pagecolumn21-22

20850-49-1 | 3-Methyl-2-(3,4-dimethoxyphenyl)butyronitrile