Name: Name:Methyl 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylate
Brand: AABLOCKS
SKU: AA00DCZB
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00DCZB

Chemical Name: Methyl 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylate

CAS Number: 4357-94-2

Molecular Formula: C12H10ClNO3

Molecular Weight: 251.6657

MDL Number: MFCD00214711

SMILES: COC(=O)c1c(C)onc1c1ccccc1Cl

Properties

Complexity: 287

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 17

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: 2.9

Downstream Synthesis Route

105-45-3

29568-74-9

4357-94-2

[1]Doyle,F.P.etal.[JournaloftheChemicalSociety,1963,p.5838-5845]

[2]Roy,AmrendraK.;Batra,Sanjay[Synthesis,2003,#9,p.1347-1356]

[3]Locationinpatent:experimentalpartRamana,P.Venkata;Reddy,A.Ram[JournalofHeterocyclicChemistry,2012,vol.49,#3,p.621-627]

[4]Huang,Huang;Si,Pei;Wang,Lei;Xu,Yong;Xu,Xin;Zhu,Jin;Jiang,Hualiang;Li,Weihua;Chen,Lili;Li,Jian[ChemMedChem,2015,vol.10,#7,p.1184-1199]

4357-94-2

23598-72-3

[1]Doyle,F.P.etal.[JournaloftheChemicalSociety,1963,p.5838-5845]

[2]Locationinpatent:experimentalpartRamana,P.Venkata;Reddy,A.Ram[JournalofHeterocyclicChemistry,2012,vol.49,#3,p.621-627]

[3]Fu,Ying;Gao,Shuang;Gao,Ying-Chao;Guo,Ke-Liang;Li,Juan-Juan;Wang,Zi-Wei;Ye,Fei;Zhao,Li-Xia[JournalofAgriculturalandFoodChemistry,2020,vol.68,#39,p.10550-10559]

4357-94-2

495417-33-9

[1]Roy,AmrendraK.;Batra,Sanjay[Synthesis,2003,#9,p.1347-1356]

[2]Huang,Huang;Si,Pei;Wang,Lei;Xu,Yong;Xu,Xin;Zhu,Jin;Jiang,Hualiang;Li,Weihua;Chen,Lili;Li,Jian[ChemMedChem,2015,vol.10,#7,p.1184-1199]

4357-94-2

682352-75-6

[1]Roy,AmrendraK.;Rajaraman;Batra,Sanjay[Tetrahedron,2004,vol.60,#10,p.2301-2310]

4357-94-2

5-bromomethyl-3-(2-chloro-phenyl)-isoxazole-4-carboxylicacidmethylester

682352-71-2

[1]Roy,AmrendraK.;Rajaraman;Batra,Sanjay[Tetrahedron,2004,vol.60,#10,p.2301-2310]

4357-94-2 | Methyl 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylate