16111-07-2,MFCD00369031
Catalog No.:AA00327H

16111-07-2 | 1-(2-Hydroxyethyl)-3,3-dimethylindolino-6'-nitrobenzopyrylospiran

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$31.00   $22.00
- +
5g
95%
in stock  
$101.00   $71.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00327H
Chemical Name:
1-(2-Hydroxyethyl)-3,3-dimethylindolino-6'-nitrobenzopyrylospiran
CAS Number:
16111-07-2
Molecular Formula:
C20H20N2O4
Molecular Weight:
352.3838
MDL Number:
MFCD00369031
SMILES:
OCCN1c2ccccc2C(C21C=Cc1c(O2)ccc(c1)[N+](=O)[O-])(C)C
Properties
Properties
 
BP:
540.3°C at 760 mmHg  
Form:
Solid  
MP:
164-165 °C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
587  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.1  

Downstream Synthesis Route

[1]Szalóki,György;Sanguinet,Lionel[JournalofOrganicChemistry,2015,vol.80,#8,p.3949-3956]

[2]Raymo;Giordani[JournaloftheAmericanChemicalSociety,2001,vol.123,#19,p.4651-4652]

[3]Raymo,FranciscoM.;Giordani,Silvia;White,AndrewJ.P.;Williams,DavidJ.[JournalofOrganicChemistry,2003,vol.68,#11,p.4158-4169]

[4]CurrentPatentAssignee:XIANGTANUNIVERSITY-CN110117294,2019,ALocationinpatent:Paragraph0021;0031-0033

[5]Liu,Dingbin;Chen,Wenwen;Sun,Kang;Deng,Ke;Zhang,Wei;Wang,Zhuo;Jiang,Xingyu[AngewandteChemie-InternationalEdition,2011,vol.50,#18,p.4103-4107]

[6]CurrentPatentAssignee:NANJINGUNIVERSITY-CN107970448,2018,ALocationinpatent:Paragraph0021;0068

[7]Zaitseva,E.L.etal.[ChemistryofHeterocyclicCompounds,1973,vol.9,p.1233-1239][KhimiyaGeterotsiklicheskikhSoedinenii,1973,#10,p.1362-1369]

[8]Sakata,Tomoyo;Yan,Yuling;Marriott,Gerard[JournalofOrganicChemistry,2005,vol.70,#6,p.2009-2013]

[9]CurrentPatentAssignee:UNIVERSITYOFWISCONSINSYSTEM;WARF(in:UniversityofWisconsin)-US2007/195309,2007,A1Locationinpatent:Page/Pagecolumn46;47

[10]Friedle,Simone;ThomasIII,SamuelW.[AngewandteChemie-InternationalEdition,2010,vol.49,#43,p.7968-7971]

[11]Locationinpatent:experimentalpartShiraishi,Yasuhiro;Itoh,Masataka;Hirai,Takayuki[PhysicalChemistryChemicalPhysics,2010,vol.12,#41,p.13737-13745]

[12]Joo,Piljae;Kim,BeomJoon;Jeon,EunKyung;Cho,JeongHo;Kim,Byeong-Su[ChemicalCommunications,2012,vol.48,#89,p.10978-10980]

[13]Zhu,Ming-Qiang;Chen,Tao;Zhang,Guo-Feng;Li,Chong;Gong,Wen-Liang;Chen,Ze-Qiang;Aldred,MatthewP.[ChemicalCommunications,2014,vol.50,#20,p.2664-2666]

[14]Son,Suhyun;Shin,Eeseul;Kim,Byeong-Su[Biomacromolecules,2014,vol.15,#2,p.628-634]

[15]KeyvanRad,Jaber;Mahdavian,AliReza;Khoei,Samideh;JanatiEsfahani,Azam[Polymer,2016,vol.98,p.263-269]

[16]CurrentPatentAssignee:COUNCILOFSCIENTIFICANDINDUSTRIALRESEARCH(IN)-US2018/163053,2018,A1Locationinpatent:Paragraph0068;0071

[17]Mouraki,Alireza;Alinejad,Zeinab;Sanjabi,Samira;Salehi-Mobarakeh,Hamid;Mahdavian,AliReza[Polymer,2021,vol.218]

[18]Gouda,Chinmayananda;Barik,Debashis;Maitra,Chandrima;Liang,Kai-Chieh;Ho,Feng-Cheng;Srinivasadesikan,Venkatesan;Chandran,Sarala;Wu,Shu-Pao;Lin,Ming-Chang;Lin,Hong-Cheu[JournalofMaterialsChemistryC,2021,vol.9,#7,p.2321-2333]

[1]Arsenov,V.D.etal.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1975,vol.24,p.382-384][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1975,vol.24,p.452-454]

[1]Zaitseva,E.L.etal.[ChemistryofHeterocyclicCompounds,1973,vol.9,p.1233-1239][KhimiyaGeterotsiklicheskikhSoedinenii,1973,#10,p.1362-1369]

[1]Friedle,Simone;ThomasIII,SamuelW.[AngewandteChemie-InternationalEdition,2010,vol.49,#43,p.7968-7971]

[2]Chen,Shuo;Jiang,Fengjuan;Cao,Ziquan;Wang,Guojie;Dang,Zhi-Min[ChemicalCommunications,2015,vol.51,#63,p.12633-12636]

[3]Sennett,KellyA.;Lindner,BrianK.;Kaur,Navdeep;Fetner,ShannonM.;Stitzel,ShannonE.[DyesandPigments,2013,vol.98,#3,p.437-441]

[4]Yu,Lei-Xiao;Liu,Yang;Chen,Si-Chong;Guan,Yue;Wang,Yu-Zhong[ChineseChemicalLetters,2014,vol.25,#3,p.389-396]

[5]Xing,Qingjian;Li,Najun;Chen,Dongyun;Sha,Wenwei;Jiao,Yang;Qi,Xiuxiu;Xu,Qingfeng;Lu,Jianmei[JournalofMaterialsChemistryB,2014,vol.2,#9,p.1182-1189]

[6]CurrentPatentAssignee:NANJINGUNIVERSITY-CN107970448,2018,ALocationinpatent:Paragraph0021;0070;0071

[7]Baumann,Lukas;Schoeller,Katrin;DeCourten,Damien;Marti,Dominik;Frenz,Martin;Wolf,Martin;Rossi,ReneM.;Scherer,LukasJ.[RSCAdvances,2013,vol.3,#45,p.23317-23326]

[8]Locationinpatent:schemeortableKojima,Miki;Nakanishi,Takayuki;Hirai,Yuji;Yabu,Hiroshi;Shimomura,Masatsugu[ChemicalCommunications,2010,vol.46,#22,p.3970-3972]

[9]Zaitseva,E.L.etal.[ChemistryofHeterocyclicCompounds,1973,vol.9,p.1233-1239][KhimiyaGeterotsiklicheskikhSoedinenii,1973,#10,p.1362-1369]

[10]Arsenov,V.D.etal.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1975,vol.24,p.382-384][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1975,vol.24,p.452-454]

[11]Locationinpatent:experimentalpartFries,KristenH.;Driskell,JeremyD.;Samanta,Satyabrata;Locklin,Jason[AnalyticalChemistry,2010,vol.82,#8,p.3306-3314]

[12]Bretler,Sharon;Margel,Shlomo[Polymer,2015,vol.61,p.68-74]

[1]Locationinpatent:schemeortableMay,Florian;Peter,Michael;Huetten,Andreas;Prodi,Luca;Mattay,Jochen[Chemistry-AEuropeanJournal,2012,vol.18,#3,p.814-821]

[2]Sakuragi;Aoki;Tamaki;Ichimura[BulletinoftheChemicalSocietyofJapan,1990,vol.63,#1,p.74-79]

[3]Arsenov,V.D.;Marevtsev,V.S.;Cherkashin,M.I.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1984,vol.33,p.1806-1809][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1984,#9,p.1984-1986]

[4]Inouye,Masahiko;Ueno,Masaru;Tsuchiya,Kikuo;Nakayama,Naomi;Konishi,Takashi;Kitao,Teijiro[JournalofOrganicChemistry,1992,vol.57,#20,p.5377-5383]

[5]Breslin,VanessaM.;Garcia-Garibay,MiguelA.[CrystalGrowthandDesign,2017,vol.17,#2,p.637-642]

Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Related Products of 16111-07-2
Historical Records
Tags:16111-07-2 Molecular Formula|16111-07-2 MDL|16111-07-2 SMILES|16111-07-2 1-(2-Hydroxyethyl)-3,3-dimethylindolino-6'-nitrobenzopyrylospiran
Catalog No.: AA00327H
16111-07-2,MFCD00369031
16111-07-2 | 1-(2-Hydroxyethyl)-3,3-dimethylindolino-6'-nitrobenzopyrylospiran
Pack Size: 1g
Purity: 95%
in stock
$31.00 $22.00
Pack Size: 5g
Purity: 95%
in stock
$101.00 $71.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00327H
Chemical Name: 1-(2-Hydroxyethyl)-3,3-dimethylindolino-6'-nitrobenzopyrylospiran
CAS Number: 16111-07-2
Molecular Formula: C20H20N2O4
Molecular Weight: 352.3838
MDL Number: MFCD00369031
SMILES: OCCN1c2ccccc2C(C21C=Cc1c(O2)ccc(c1)[N+](=O)[O-])(C)C
Properties
BP: 540.3°C at 760 mmHg  
Form: Solid  
MP: 164-165 °C  
Storage: Inert atmosphere;2-8℃;  
Complexity: 587  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 26  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.1  
Downstream Synthesis Route
36508-00-6    97-51-8    16111-07-2 

[1]Szalóki,György;Sanguinet,Lionel[JournalofOrganicChemistry,2015,vol.80,#8,p.3949-3956]

[2]Raymo;Giordani[JournaloftheAmericanChemicalSociety,2001,vol.123,#19,p.4651-4652]

[3]Raymo,FranciscoM.;Giordani,Silvia;White,AndrewJ.P.;Williams,DavidJ.[JournalofOrganicChemistry,2003,vol.68,#11,p.4158-4169]

[4]CurrentPatentAssignee:XIANGTANUNIVERSITY-CN110117294,2019,ALocationinpatent:Paragraph0021;0031-0033

[5]Liu,Dingbin;Chen,Wenwen;Sun,Kang;Deng,Ke;Zhang,Wei;Wang,Zhuo;Jiang,Xingyu[AngewandteChemie-InternationalEdition,2011,vol.50,#18,p.4103-4107]

[6]CurrentPatentAssignee:NANJINGUNIVERSITY-CN107970448,2018,ALocationinpatent:Paragraph0021;0068

[7]Zaitseva,E.L.etal.[ChemistryofHeterocyclicCompounds,1973,vol.9,p.1233-1239][KhimiyaGeterotsiklicheskikhSoedinenii,1973,#10,p.1362-1369]

[8]Sakata,Tomoyo;Yan,Yuling;Marriott,Gerard[JournalofOrganicChemistry,2005,vol.70,#6,p.2009-2013]

[9]CurrentPatentAssignee:UNIVERSITYOFWISCONSINSYSTEM;WARF(in:UniversityofWisconsin)-US2007/195309,2007,A1Locationinpatent:Page/Pagecolumn46;47

[10]Friedle,Simone;ThomasIII,SamuelW.[AngewandteChemie-InternationalEdition,2010,vol.49,#43,p.7968-7971]

[11]Locationinpatent:experimentalpartShiraishi,Yasuhiro;Itoh,Masataka;Hirai,Takayuki[PhysicalChemistryChemicalPhysics,2010,vol.12,#41,p.13737-13745]

[12]Joo,Piljae;Kim,BeomJoon;Jeon,EunKyung;Cho,JeongHo;Kim,Byeong-Su[ChemicalCommunications,2012,vol.48,#89,p.10978-10980]

[13]Zhu,Ming-Qiang;Chen,Tao;Zhang,Guo-Feng;Li,Chong;Gong,Wen-Liang;Chen,Ze-Qiang;Aldred,MatthewP.[ChemicalCommunications,2014,vol.50,#20,p.2664-2666]

[14]Son,Suhyun;Shin,Eeseul;Kim,Byeong-Su[Biomacromolecules,2014,vol.15,#2,p.628-634]

[15]KeyvanRad,Jaber;Mahdavian,AliReza;Khoei,Samideh;JanatiEsfahani,Azam[Polymer,2016,vol.98,p.263-269]

[16]CurrentPatentAssignee:COUNCILOFSCIENTIFICANDINDUSTRIALRESEARCH(IN)-US2018/163053,2018,A1Locationinpatent:Paragraph0068;0071

[17]Mouraki,Alireza;Alinejad,Zeinab;Sanjabi,Samira;Salehi-Mobarakeh,Hamid;Mahdavian,AliReza[Polymer,2021,vol.218]

[18]Gouda,Chinmayananda;Barik,Debashis;Maitra,Chandrima;Liang,Kai-Chieh;Ho,Feng-Cheng;Srinivasadesikan,Venkatesan;Chandran,Sarala;Wu,Shu-Pao;Lin,Ming-Chang;Lin,Hong-Cheu[JournalofMaterialsChemistryC,2021,vol.9,#7,p.2321-2333]

16111-07-2    79-30-1    54637-22-8 

[1]Arsenov,V.D.etal.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1975,vol.24,p.382-384][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1975,vol.24,p.452-454]

16111-07-2    920-46-7    50839-69-5 

[1]Zaitseva,E.L.etal.[ChemistryofHeterocyclicCompounds,1973,vol.9,p.1233-1239][KhimiyaGeterotsiklicheskikhSoedinenii,1973,#10,p.1362-1369]

16111-07-2    920-46-7    25952-50-5 

[1]Friedle,Simone;ThomasIII,SamuelW.[AngewandteChemie-InternationalEdition,2010,vol.49,#43,p.7968-7971]

[2]Chen,Shuo;Jiang,Fengjuan;Cao,Ziquan;Wang,Guojie;Dang,Zhi-Min[ChemicalCommunications,2015,vol.51,#63,p.12633-12636]

[3]Sennett,KellyA.;Lindner,BrianK.;Kaur,Navdeep;Fetner,ShannonM.;Stitzel,ShannonE.[DyesandPigments,2013,vol.98,#3,p.437-441]

[4]Yu,Lei-Xiao;Liu,Yang;Chen,Si-Chong;Guan,Yue;Wang,Yu-Zhong[ChineseChemicalLetters,2014,vol.25,#3,p.389-396]

[5]Xing,Qingjian;Li,Najun;Chen,Dongyun;Sha,Wenwei;Jiao,Yang;Qi,Xiuxiu;Xu,Qingfeng;Lu,Jianmei[JournalofMaterialsChemistryB,2014,vol.2,#9,p.1182-1189]

[6]CurrentPatentAssignee:NANJINGUNIVERSITY-CN107970448,2018,ALocationinpatent:Paragraph0021;0070;0071

[7]Baumann,Lukas;Schoeller,Katrin;DeCourten,Damien;Marti,Dominik;Frenz,Martin;Wolf,Martin;Rossi,ReneM.;Scherer,LukasJ.[RSCAdvances,2013,vol.3,#45,p.23317-23326]

[8]Locationinpatent:schemeortableKojima,Miki;Nakanishi,Takayuki;Hirai,Yuji;Yabu,Hiroshi;Shimomura,Masatsugu[ChemicalCommunications,2010,vol.46,#22,p.3970-3972]

[9]Zaitseva,E.L.etal.[ChemistryofHeterocyclicCompounds,1973,vol.9,p.1233-1239][KhimiyaGeterotsiklicheskikhSoedinenii,1973,#10,p.1362-1369]

[10]Arsenov,V.D.etal.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1975,vol.24,p.382-384][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1975,vol.24,p.452-454]

[11]Locationinpatent:experimentalpartFries,KristenH.;Driskell,JeremyD.;Samanta,Satyabrata;Locklin,Jason[AnalyticalChemistry,2010,vol.82,#8,p.3306-3314]

[12]Bretler,Sharon;Margel,Shlomo[Polymer,2015,vol.61,p.68-74]

27344-29-2    97-51-8    16111-07-2 

[1]Locationinpatent:schemeortableMay,Florian;Peter,Michael;Huetten,Andreas;Prodi,Luca;Mattay,Jochen[Chemistry-AEuropeanJournal,2012,vol.18,#3,p.814-821]

[2]Sakuragi;Aoki;Tamaki;Ichimura[BulletinoftheChemicalSocietyofJapan,1990,vol.63,#1,p.74-79]

[3]Arsenov,V.D.;Marevtsev,V.S.;Cherkashin,M.I.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1984,vol.33,p.1806-1809][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1984,#9,p.1984-1986]

[4]Inouye,Masahiko;Ueno,Masaru;Tsuchiya,Kikuo;Nakayama,Naomi;Konishi,Takashi;Kitao,Teijiro[JournalofOrganicChemistry,1992,vol.57,#20,p.5377-5383]

[5]Breslin,VanessaM.;Garcia-Garibay,MiguelA.[CrystalGrowthandDesign,2017,vol.17,#2,p.637-642]

Building Blocks More >
3724-43-4
3724-43-4
(Chloromethylene)dimethyliminium chloride
AA0032AH | MFCD00011868
7013-05-0
7013-05-0
(S)-4-Amino-3-hydroxybutanoic acid
AA0032DB | MFCD00672884
1546-79-8
1546-79-8
1-(Trifluoroacetyl)imidazole
AA0032GJ | MFCD00014501
2425-01-6
2425-01-6
1,4-Di(glycidyloxy)benzene
AA0032JJ | MFCD00186891
110407-59-5
110407-59-5
1-Bromo-2-chloro-4-fluorobenzene
AA0032MK | MFCD00142587
691008-24-9
691008-24-9
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-, radical ion(1+)
AA01X4MM | MFCD00599413
3914-42-9
3914-42-9
2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole
AA0032SI | MFCD06655111
105921-01-5
105921-01-5
Benzenamine, 2,3-dimethyl-, homopolymer
AA01X34B | MFCD00007732
5398-44-7
5398-44-7
2,6-Dichloroisonicotinic acid
AA0032YG | MFCD00234147
5344-90-1
5344-90-1
2-Aminobenzyl alcohol
AA00331C | MFCD00007749
Submit
© 2017 AA BLOCKS, INC. All rights reserved.