Home Amines 139346-57-9
139346-57-9,MFCD00467585
Catalog No.:AA001AQB

139346-57-9 | 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, 2,5-dioxo-1-pyrrolidinyl ester

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  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
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  • Downstream Synthesis Route
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Technical Information
Catalog Number:
AA001AQB
Chemical Name:
2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
139346-57-9
Molecular Formula:
C18H18N2O6
Molecular Weight:
358.3453
MDL Number:
MFCD00467585
SMILES:
CCN(c1ccc2c(c1)oc(=O)c(c2)C(=O)ON1C(=O)CCC1=O)CC
Properties
Computed Properties
 
Complexity:
638  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
7  
Rotatable Bond Count:
6  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Gustafson,TiffanyP.;Metzel,GregA.;Kutateladze,AndreiG.[OrganicandBiomolecularChemistry,2011,vol.9,#13,p.4752-4755]

[2]Murase,Tokiko;Yoshihara,Toshitada;Yamada,Keiichi;Tobita,Seiji[BulletinoftheChemicalSocietyofJapan,2013,vol.86,#4,p.510-519]

[3]Kaur,Amandeep;Haghighatbin,MohammadA.;Hogan,ConorF.;New,ElizabethJ.[ChemicalCommunications,2015,vol.51,#52,p.10510-10513]

[4]Deng,Zhiqin;Lau,Tai-Chu;Liu,Yingying;Wang,Na;Wang,Zhigang;Xu,Zoufeng;Zhu,Guangyu[JournaloftheAmericanChemicalSociety,2020,vol.142,#17,p.7803-7812]

[5]Wada,Atsuhiko;Tamaru,Shun-ichi;Ikeda,Masato;Hamachi,Itaru[JournaloftheAmericanChemicalSociety,2009,vol.131,p.5321-5330]

[6]Aoyama,Eriko;Fuchida,Hirokazu;Oshikawa,Yuji;Uchinomiya,Shohei;Ojida,Akio[ChemicalCommunications,2016,vol.52,#49,p.7715-7718]

[7]CurrentPatentAssignee:UNIVERSITYOFJINAN(SHANDONG)-CN109293669,2019,ALocationinpatent:Paragraph0017

[8]CurrentPatentAssignee:CHINAPHARMACEUTICALUNIVERSITY-CN105541955,2016,ALocationinpatent:Paragraph0016;0040;0042

[9]Yao,Hong;Wei,Guoxiang;Liu,Yanpeng;Yao,Hequan;Zhu,Zheying;Ye,Wencai;Wu,Xiaoming;Xu,Jinyi;Xu,Shengtao[ACSMedicinalChemistryLetters,2018,vol.9,#10,p.1030-1034]

[10]Albers,AaronE.;Okreglak,VoytekS.;Chang,ChristopherJ.[JournaloftheAmericanChemicalSociety,2006,vol.128,#30,p.9640-9641]

[11]Gustafson,TiffanyP.;Cao,Qian;Wang,StevenT.;Berezin,MikhailY.[ChemicalCommunications,2013,vol.49,#7,p.680-682]

[12]Häußler,Daniela;Gütschow,Michael[Synthesis,2016,vol.48,#2,p.245-255]

[13]Xie,Xiao;Reznichenko,Oksana;Chaput,Ludovic;Martin,Pascal;Teulade-Fichou,Marie-Paule;Granzhan,Anton[Chemistry-AEuropeanJournal,2018,vol.24,#48,p.12638-12651]

[14]Zhong,Yuanzhi;Zhan,Jie;Xu,Guanghui;Chen,Yumiao;Qin,Qin;Liao,Xu;Ma,Shaodan;Yang,Zhimou;Cai,Yanbin[AngewandteChemie-InternationalEdition,2021,vol.60,#15,p.8121-8129][Angew.Chem.,2021,vol.133,#15,p.8202-8210,9]

[1]Tetrahedron,2011,vol.67,p.1091-1095

[1]CurrentPatentAssignee:CHINAPHARMACEUTICALUNIVERSITY-CN105541955,2016,ALocationinpatent:Paragraph0016;0043

[2]Matsuo,Kazuya;Nishikawa,Yuki;Masuda,Marie;Hamachi,Itaru[AngewandteChemie-InternationalEdition,2018,vol.57,#3,p.659-662][Angew.Chem.,2018,vol.130,#3,p.667-670,4]

[3]Yao,Hong;Wei,Guoxiang;Liu,Yanpeng;Yao,Hequan;Zhu,Zheying;Ye,Wencai;Wu,Xiaoming;Xu,Jinyi;Xu,Shengtao[ACSMedicinalChemistryLetters,2018,vol.9,#10,p.1030-1034]

134978-97-5    139346-57-9   
C20H26N2O7 

[1]ACSMedicinalChemistryLetters,2018,vol.9,p.1030-1034

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Tags:139346-57-9 Molecular Formula|139346-57-9 MDL|139346-57-9 SMILES|139346-57-9 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, 2,5-dioxo-1-pyrrolidinyl ester