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160598-45-8,MFCD01452504
Catalog No.:AA001RZ6

160598-45-8 | Benzoic acid, 4-(1-pyrrolidinylmethyl)-, methyl ester

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Purity
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Price(USD)
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250mg
97%
in stock  
$145.00   $102.00
- +
1g
97%
in stock  
$311.00   $218.00
- +
5g
97%
in stock  
$1,208.00   $846.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001RZ6
Chemical Name:
Benzoic acid, 4-(1-pyrrolidinylmethyl)-, methyl ester
CAS Number:
160598-45-8
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD01452504
SMILES:
COC(=O)c1ccc(cc1)CN1CCCC1
Properties
Computed Properties
 
Complexity:
228  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
4  
XLogP3:
2.1  

Downstream Synthesis Route

[1]Dolensky,Johanna;Hermann,Theresa;Hochegger,Patrick;Kaiser,Marcel;Mäser,Pascal;Saf,Robert;Seebacher,Werner;Weis,Robert[Pharmaceuticals,2021,vol.14,#5]

[2]CurrentPatentAssignee:PFIZERINC-WO2017/195069,2017,A1Locationinpatent:Page/Pagecolumn91

[3]CurrentPatentAssignee:ALFASIGMAGROUP;GEMMASANDRA-WO2007/104695,2007,A1Locationinpatent:Page/Pagecolumn27-28

[4]Locationinpatent:experimentalpartSheng,Rong;Xu,Yu;Hu,Chunqi;Zhang,Jing;Lin,Xiao;Li,Jingya;Yang,Bo;He,Qiaojun;Hu,Yongzhou[EuropeanJournalofMedicinalChemistry,2009,vol.44,#1,p.7-17]

[5]Berne,Sabina;Kovačič,Lidija;Sova,Matej;Kraševec,Nada;Gobec,Stanislav;Križaj,Igor;Komel,Radovan[BioorganicandMedicinalChemistry,2015,vol.23,#15,p.4264-4276]

[6]Kozikowski,AlanP.;Shen,Sida;Pardo,Marta;Tavares,MaurícioT.;Szarics,Dora;Benoy,Veronick;Zimprich,ChadA.;Kutil,Zsófia;Zhang,Guiping;Bařinka,Cyril;Robers,MatthewB.;VanDenBosch,Ludo;Eubanks,JamesH.;Jope,RichardS.[ACSChemicalNeuroscience,2019,vol.10,#3,p.1679-1695]

[7]Sall,DanielJ.;Bailey,DiannaL.;Bastian,JolieA.;Buben,JohnA.;Chirgadze,NickolayY.;Clemens-Smith,AmyC.;Denney,MichaelL.;Fisher,MatthewJ.;Giera,DeborahD.;Gifford-Moore,DonettaS.;Harper,RichardW.;Johnson,LeaM.;Klimkowski,ValentineJ.;Kohn,ToddJ.;Lin,Ho-Shen;McCowan,JeffersonR.;Palkowitz,AlanD.;Richett,MichaelE.;Smith,GeraldF.;Snyder,DavidW.;Takeuchi,Kumiko;Toth,JohnE.;Zhang,Minsheng[JournalofMedicinalChemistry,2000,vol.43,#4,p.649-663]

[8]Houlihan,WilliamJ.;Munder,PaulG.;Handley,DeanA.;Cheon,SeungH.;Parrino,VincentA.[JournalofMedicinalChemistry,1995,vol.38,#2,p.234-240]

[9]Gemma,Sandra;Kukreja,Gagan;Fattorusso,Caterina;Persico,Marco;Romano,MariaP.;Altarelli,Maria;Savini,Luisa;Campiani,Giuseppe;Fattorusso,Ernesto;Basilico,Nicoletta;Taramelli,Donatella;Yardley,Vanessa;Butini,Stefania[BioorganicandMedicinalChemistryLetters,2006,vol.16,#20,p.5384-5388]

[10]CurrentPatentAssignee:ELILILLY&CO-US6284756,2001,B1

[11]Locationinpatent:experimentalpartQiu,Jingying;Xu,Bixue;Huang,Zhengming;Pan,Weidong;Cao,Peixue;Liu,Changxiao;Hao,Xiaojiang;Song,Baoan;Liang,Guangyi[BioorganicandMedicinalChemistry,2011,vol.19,#18,p.5352-5360]

[12]Locationinpatent:schemeortableHuang,Wenhai;Tang,Li;Shi,Ying;Huang,Shufang;Xu,Lei;Sheng,Rong;Wu,Peng;Li,Jia;Zhou,Naiming;Hu,Yongzhou[BioorganicandMedicinalChemistry,2011,vol.19,#23,p.7158-7167]

[1]Locationinpatent:experimentalpartKoroleva,ElenaV.;Kadutskii,AlekseyP.;Farina,AlexanderV.;Ignatovich,JannaV.;Ermolinskaya,AnastasiyaL.;Gusak,KlaudiyaN.;Kalinichenko,ElenaN.[TetrahedronLetters,2012,vol.53,#38,p.5056-5058]

[2]Zuo,Sai-Jie;Zhang,Sai;Mao,Shuai;Xie,Xiao-Xiao;Xiao,Xue;Xin,Min-Hnag;Xuan,Wei;He,Yuan-Yuan;Cao,Yong-Xiao;Zhang,San-Qi[BioorganicandMedicinalChemistry,2016,vol.24,#2,p.179-190]

[3]Koroleva;Gusak;Ermolinskaya;Ignatovich[RussianJournalofOrganicChemistry,2013,vol.49,#4,p.563-567][Zh.Org.Khim.,2013,vol.49,#4,p.580-584]

[4]Alam,Rauful;Molander,GaryA.[OrganicLetters,2018,vol.20,#9,p.2680-2684]

[5]CurrentPatentAssignee:THECHILDREN'SHOSPITALOFPHILADELPHIA;UNIVERSITYOFILLINOIS(SYSTEM)-WO2012/106343,2012,A2Locationinpatent:Page/Pagecolumn73-74

[6]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2002/37896,2002,A1

Literature
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SDS
Tags:160598-45-8 Molecular Formula|160598-45-8 MDL|160598-45-8 SMILES|160598-45-8 Benzoic acid, 4-(1-pyrrolidinylmethyl)-, methyl ester