Methyl [(3E)-4-(acetylsulfanyl)-3-(2-ethoxy-2-oxoethylidene)piperidin-1-yl](2-chlorophenyl)acetate

Base Information

• Chemical Name: Methyl [(3E)-4-(acetylsulfanyl)-3-(2-ethoxy-2-oxoethylidene)piperidin-1-yl](2-chlorophenyl)acetate
• CAS No.: 204204-75-1
• Molecular Formula: C20H24ClNO5S
• Molecular Weight: 425.93
• DSSTox Substance ID: DTXSID20573004
• Mol file: 204204-75-1.mol

Synonyms:204204-75-1;Methyl [(3E)-4-(acetylsulfanyl)-3-(2-ethoxy-2-oxoethylidene)piperidin-1-yl](2-chlorophenyl)acetate;methyl 2-[(3E)-4-acetylsulfanyl-3-(2-ethoxy-2-oxoethylidene)piperidin-1-yl]-2-(2-chlorophenyl)acetate;(3E)-4-(Acetylthio)-alpha-(2-chlorophenyl)-3-(2-ethoxy-2-oxoethylidene)-1-piperidineacetic Acid Methyl Ester;ANXXRJDFMOQMLB-SDNWHVSQSA-N;SCHEMBL6572070;SCHEMBL6572078;DTXSID20573004;J-013298;(3E)-4-(Acetylthio)- alpha -(2-chlorophenyl)-3-(2-ethoxy-2-oxoethylidene)-1-piperidineacetic Acid Methyl Ester (Mixture of Diastereomers);(3E)-4-(Acetylthio)-a-(2-chlorophenyl)-3-(2-ethoxy-2-oxoethylidene)-1-piperidineacetic Acid Methyl Ester(Mixture of Diastereomers);(3E)-4-(Acetylthio)-alpha-(2-chlorophenyl)-3-(2-ethoxy-2-oxoethylidene)-1-piperidineacetic Acid Methyl E;(E)-4-acetylthio-1-(2-chloro-alpha-methoxycarbonylbenzyl)-3-ethoxycarbonylmethylidenepiperidine

Chemical Property of Methyl [(3E)-4-(acetylsulfanyl)-3-(2-ethoxy-2-oxoethylidene)piperidin-1-yl](2-chlorophenyl)acetate

Chemical Property:

• PSA: 98.21000
• LogP: 3.33550
• Solubility.: Chloroform, Dichloromethane, Ether, Ethyl Ester, Methanol
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 425.1063717
• Heavy Atom Count: 28
• Complexity: 611

Purity/Quality:

98% ^*data from raw suppliers

(3E)-4-(Acetylthio)-α-(2-chlorophenyl)-3-(2-ethoxy-2-oxoethylidene)-1-piperidineaceticAcidMethylEster(MixtureofDiastereomers) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=C1CN(CCC1SC(=O)C)C(C2=CC=CC=C2Cl)C(=O)OC
• Isomeric SMILES: CCOC(=O)/C=C/1\CN(CCC1SC(=O)C)C(C2=CC=CC=C2Cl)C(=O)OC
• Uses: Intermediate in the preparation of Oxo Clopidogrel MPB derivatives.