2-Methoxyethane-1-sulfonamide

Base Information

• Chemical Name: 2-Methoxyethane-1-sulfonamide
• CAS No.: 51517-04-5
• Molecular Formula: C3H9NO3S
• Molecular Weight: 139.175
• Hs Code.: 2935009090
• European Community (EC) Number: 828-570-3
• DSSTox Substance ID: DTXSID30596784
• Wikidata: Q82492132
• Mol file: 51517-04-5.mol

Synonyms:2-methoxyethane-1-sulfonamide;2-methoxyethanesulfonamide;51517-04-5;Ethanesulfonamide, 2-methoxy-;2-methoxyethane- sulfonamide;SCHEMBL668970;DTXSID30596784;CLPQSNXTFZZLHB-UHFFFAOYSA-N;2-methoxy-ethanesulfonic acid amide;BCA51704;MFCD12174704;AKOS009492929;AT20623;BS-12886;CS-0180980;EN300-75031;J-509860;Z425361010

Chemical Property of 2-Methoxyethane-1-sulfonamide

Chemical Property:

• Boiling Point: 135 °C(Press: 0.3 Torr)
• PKA: 10.36±0.60(Predicted)
• PSA: 77.77000
• Density: 1.275±0.06 g/cm3(Predicted)
• LogP: 0.70240
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 139.03031432
• Heavy Atom Count: 8
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

2-Methoxyethanesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COCCS(=O)(=O)N

Technology Process of 2-Methoxyethane-1-sulfonamide

There total 2 articles about 2-Methoxyethane-1-sulfonamide 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: 46.0%

2-methoxyethane-1-sulfonyl chloride (51517-01-2) → 2-methoxyethane-1-sulfonamide (51517-04-5)

Guidance literature:

With ammonium hydroxide; In water; at 20 ℃; for 3h;

Reference yield:

→ 2-methoxyethane-1-sulfonamide (51517-04-5)

Guidance literature:

Reference yield: 63.4%

2-methoxyethane-1-sulfonamide (51517-04-5) + (2S,3R,4S,5S)-3-tert-butyl-1-(cyclohexanecarbonyl)-4-{[2-methoxy-5-(trifluoromethyl)phenyl]methoxy}-5-phenylpyrrolidine-2-carboxylic acid → (2S,3R,4S,5S)-3-tert-butyl-1-(cyclohexanecarbonyl)-N-(2-methoxyethanesulfonyl)-4-{[2-methoxy-5-(trifluoromethyl)phenyl]methoxy}-5-phenylpyrrolidine-2-carboxamide

Guidance literature:

(2S,3R,4S,5S)-3-tert-butyl-1-(cyclohexanecarbonyl)-4-{[2-methoxy-5-(trifluoromethyl)phenyl]methoxy}-5-phenylpyrrolidine-2-carboxylic acid; With 1,1'-carbonyldiimidazole; In dichloromethane; at 42 ℃; for 2h;

2-methoxyethane-1-sulfonamide; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 60 ℃; for 2h;

upstream raw materials:

2-methoxyethane-1-sulfonyl chloride

Downstream raw materials:

vinyl sulfonamide

(2'S,3S,4'R)-6-chloro-4'-{5-chloro-2-[2-(2-methoxy-ethanesulfonylamino)-1,1-dimethyl-2-oxo-ethoxy]-phenyl}-2'-(5-fluoro-2-methyl-phenyl)-spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione