Name: Name:Acetic acid, (4-acetylphenoxy)-, ethyl ester
Brand: AABLOCKS
SKU: AA00I972
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00I972

Chemical Name: Acetic acid, (4-acetylphenoxy)-, ethyl ester

CAS Number: 51828-69-4

Molecular Formula: C12H14O4

Molecular Weight: 222.2372

MDL Number: MFCD02269926

SMILES: CCOC(=O)COc1ccc(cc1)C(=O)C

Properties

Complexity: 241

Covalently-Bonded Unit Count: 1

Heavy Atom Count: 16

Hydrogen Bond Acceptor Count: 4

Rotatable Bond Count: 6

XLogP3: 1.6

Downstream Synthesis Route

105-39-5

99-93-4

51828-69-4

[1]Locationinpatent:experimentalpartMakadia,Pankaj;Shah,ShaileshR.;Pingali,Harikishore;Zaware,Pandurang;Patel,Darshit;Pola,Suresh;Thube,Baban;Priyadarshini,Priyanka;Suthar,Dinesh;Shah,Maanan;Giri,Suresh;Trivedi,Chitrang;Jain,Mukul;Patel,Pankaj;Bahekar,Rajesh[BioorganicandMedicinalChemistry,2011,vol.19,#2,p.771-782]

[2]CurrentPatentAssignee:HEFEIYIGONGMEDICINE;HEFEIENRUITEPHARMACEUTICAL;ANHUIUNIVERSITYOFCHINESEMEDICINE-CN107686463,2018,ALocationinpatent:Paragraph0086-0091

[3]Lee,Kyeong;Lee,JeongHyung;Boovanahalli,ShanthaveerappaK.;Jin,Yinglan;Lee,Mijeoung;Jin,Xuejun;Kim,JinHwan;Hong,Young-Soo;Lee,JungJoon[JournalofMedicinalChemistry,2007,vol.50,#7,p.1675-1684]

[4]Zhu,Panhu;Huang,Weijun;Li,Jiaming;Ma,Xiaodong;Hu,Mengqi;Wang,Yujun;Xu,Qinlong;Wang,Xianna[ChemicalBiologyandDrugDesign,2018,vol.92,#2,p.1525-1536]

[5]Gopinathan,Adarsh;Moidu,Mahreen;Mukundan,Minil;EllickalNarayanan,Siju;Narayanan,Hariraj;Adhikari,Navin[DrugDevelopmentResearch,2020,vol.81,#8,p.1048-1056]

105-36-2

99-93-4

51828-69-4

[1]CurrentPatentAssignee:DIEVINIHOPPBIOTECHHOLDINGGMBH&CO.KG-WO2004/92139,2004,A2Locationinpatent:Page73-74

[2]CurrentPatentAssignee:DIEVINIHOPPBIOTECHHOLDINGGMBH&CO.KG-WO2006/2119,2006,A2Locationinpatent:Page/Pagecolumn87-88

[3]Kim,HyeonJeong;Jang,BoKo;Park,Jong-Hyun;Choi,JiWon;Park,SunJun;Byeon,SeongRim;Pae,AeNim;Lee,YongSup;Cheong,Eunji;Park,KiDuk[EuropeanJournalofMedicinalChemistry,2020,vol.185]

[4]CurrentPatentAssignee:ABBVIEINC-US2005/38068,2005,A1Locationinpatent:Page/Pagecolumn43

[5]Sashidhara,KoneniV.;Palnati,GopalaReddy;Sonkar,Ravi;Avula,SrinivasaRao;Awasthi,Chetan;Bhatia,Gitika[EuropeanJournalofMedicinalChemistry,2013,vol.64,p.422-431]

[6]Pandey,AshutoshKumar;Sharma,Supriya;Pandey,Minakshi;Alam,M.Mumtaz;Shaquiquzzaman;Akhter,Mymoona[EuropeanJournalofMedicinalChemistry,2016,vol.123,p.476-486]

51828-69-4 | Acetic acid, (4-acetylphenoxy)-, ethyl ester