N-(3-Methoxy-phenyl)-2-morpholin-4-yl-2-oxo-acetamide

Base Information

• Chemical Name: N-(3-Methoxy-phenyl)-2-morpholin-4-yl-2-oxo-acetamide
• CAS No.: 6608-47-5
• Molecular Formula: C2H3 Cl O2 S
• Molecular Weight: 126.564
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID40984572
• Wikidata: Q82971845
• ChEMBL ID: CHEMBL1564952
• Mol file: 6608-47-5.mol

Synonyms:N-(3-Methoxy-phenyl)-2-morpholin-4-yl-2-oxo-acetamide;SMR000117260;Cambridge id 6608475;MLS000526786;N-(3-methoxyphenyl)-2-morpholin-4-yl-2-oxoacetamide;CHEMBL1564952;DTXSID40984572;HMS2178E11;AKOS000640670;N-(3-METHOXYPHENYL)-2-(MORPHOLIN-4-YL)-2-OXOACETAMIDE

Chemical Property of N-(3-Methoxy-phenyl)-2-morpholin-4-yl-2-oxo-acetamide

Chemical Property:

• Boiling Point: 52-56 °C(Press: 1 Torr)
• PSA: 42.52000
• Density: 1.29g/cm³
• LogP: 1.77930
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: Chloroform (Sparingly), DMSO (Slightly)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 264.11100700
• Heavy Atom Count: 19
• Complexity: 329

Purity/Quality:

98%Min ^*data from raw suppliers

Ethenesulfonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)NC(=O)C(=O)N2CCOCC2
• Uses: Ethenesulfonyl chloride is a useful reactant for the preparation of oral quinoline-based ALDH1A1 inhibitors as potential antitumor agents.

Technology Process of N-(3-Methoxy-phenyl)-2-morpholin-4-yl-2-oxo-acetamide

There total 10 articles about N-(3-Methoxy-phenyl)-2-morpholin-4-yl-2-oxo-acetamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

ethane-1,2-disulfonyl chloride (31469-08-6) → vinylsulfonyl chloride (6608-47-5)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; stereospecific reaction;

DOI:10.1016/j.tetlet.2018.05.060

Reference yield: 81.0%

sodium vinylsulfonate (3039-83-6) + N-phenylphenylene-1,4-diamine (101-54-2) → N-(4-anilino)phenyl-vinylsulfonamide (77229-34-6) + vinylsulfonyl chloride (6608-47-5)

Guidance literature:

With phosphorus pentachloride; triethylamine; In toluene;

Reference yield: 75.2%

2-Chloroethanesulfonyl chloride (1622-32-8) → vinylsulfonyl chloride (6608-47-5)

Guidance literature:

With 2,4,6-trimethyl-pyridine; In diethyl ether; at -65 - 25 ℃; for 1h;

upstream raw materials:

divinyl disulfide

2-Chloroethanesulfonyl chloride

sodium vinylsulfonate

2,2-dimethyl-propanol-1

Downstream raw materials:

ethenesulfonic acid ethyl ester

phenyl vinylsulfonate

ethylenesulfonyl fluoride

2-methoxyethane-1-sulfonyl chloride

Refernces

• 1、 Ali, Korany A.,Metz, Peter. "Ring closing metathesis and metal-catalyzed cyclopropanation for the preparation of sultone derivatives". . p. 19 - 29. Retrieved 2019/04/17.
• 2、 Zhang, Bo,Pascali, Giancarlo,Wyatt, Naomi,Matesic, Lidia,Klenner, Mitchell A.,Sia, Tiffany R.,Guastella, Adam J.,Massi, Massimiliano,Robinson, Andrea J.,Fraser, Benjamin H.. "Synthesis, bioconjugation and stability studies of [18F]ethenesulfonyl fluoride". . p. 847 - 856. Retrieved 2018/08/03.