Name: Name:Ethyl 5-iodoisoxazole-3-carboxylate
Brand: AABLOCKS
SKU: AA01C14K
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA01C14K

Chemical Name: Ethyl 5-iodoisoxazole-3-carboxylate

CAS Number: 149286-19-1

Molecular Formula: C6H6INO3

Molecular Weight: 267.0212

MDL Number: MFCD26395555

SMILES: CCOC(=O)c1cc(on1)I

Properties

Complexity: 153

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 11

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.6

Downstream Synthesis Route

1112-00-1

51983-62-1

149286-19-1

[1]Sakamoto;Uchiyama;Kondo;Yamanaka[ChemicalandPharmaceuticalBulletin,1993,vol.41,#3,p.478-480]

149286-19-1

5-iodo-isoxazole-3-carboxylicacidhydrazide

[1]Jones,Philip;Atack,JohnR.;Braun,MatthewP.;Cato,BrianP.;Chambers,MarkS.;O'Connor,Desmond;Cook,SusanM.;Hobbs,SarahC.;Maxey,Robert;Szekeres,HelenJ.;Szeto,Nicola;Wafford,KeithA.;MacLeod,AngusM.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#4,p.872-875]

ethyl5-(trimethylsilyl)isoxazole-3-carboxylate

149286-19-1

[1]Jones,Philip;Atack,JohnR.;Braun,MatthewP.;Cato,BrianP.;Chambers,MarkS.;O'Connor,Desmond;Cook,SusanM.;Hobbs,SarahC.;Maxey,Robert;Szekeres,HelenJ.;Szeto,Nicola;Wafford,KeithA.;MacLeod,AngusM.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#4,p.872-875]

tert-butyl((3-ethynylbicyclo1.1.1pentan-1-yl)methoxy)diphenylsilane

149286-19-1

(5-((3-(((tert-butyldiphenylsilyl)oxy)methyl)bicyclo1.1.1pentan-1-yl)ethynyl)isoxazol-3-yl)methanol

(Z)-(5-(2-(3-(((tert-butyldiphenylsilyl)oxy)methyl)bicyclo1.1.1pentan-1-yl)vinyl)isoxazol-3-yl)methanol

[1]CurrentPatentAssignee:TAISHOPHARMACEUTICALHOLDINGSCO.,LTD.-WO2018/216822,2018,A1Locationinpatent:Page/Pagecolumn122-123

149286-19-1 | Ethyl 5-iodoisoxazole-3-carboxylate