N-{4-[(1S)-2-chloro-1-hydroxyethyl]phenyl}methanesulfonamide

Base Information

• Chemical Name: N-{4-[(1S)-2-chloro-1-hydroxyethyl]phenyl}methanesulfonamide
• CAS No.: 187831-22-7
• Molecular Formula: C₉H₁₂ClNO₃S
• Molecular Weight: 249.718
• DSSTox Substance ID: DTXSID10451802
• Nikkaji Number: J1.006.163F
• Wikidata: Q82272031
• Mol file: 187831-22-7.mol

Synonyms:N-{4-[(1S)-2-chloro-1-hydroxyethyl]phenyl}methanesulfonamide;187831-22-7;N-[4-[(1S)-2-chloro-1-hydroxyethyl]phenyl]methanesulfonamide;DTXSID10451802;CS-0303776;EN300-87729;(S)-1-[4-(Mesylamino)phenyl]-2-chloroethanol;(S)-N-(4-(2-Chloro-1-hydroxyethyl)phenyl)methanesulfonamide

Chemical Property of N-{4-[(1S)-2-chloro-1-hydroxyethyl]phenyl}methanesulfonamide

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 249.0226421
• Heavy Atom Count: 15
• Complexity: 280

Purity/Quality:

99% ^*data from raw suppliers

N-(4-[(1S)-2-CHLORO-1-HYDROXYETHYL]PHENYL)METHANESULFONAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CS(=O)(=O)NC1=CC=C(C=C1)C(CCl)O
• Isomeric SMILES: CS(=O)(=O)NC1=CC=C(C=C1)[C@@H](CCl)O

Technology Process of N-{4-[(1S)-2-chloro-1-hydroxyethyl]phenyl}methanesulfonamide

There total 9 articles about N-{4-[(1S)-2-chloro-1-hydroxyethyl]phenyl}methanesulfonamide 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: 96.0%

N-[4-(2-chloro-1-oxoethyl)phenyl]methanesulfonamide (64488-52-4) → 2-chloro-1-(4'-methanesulfonamidophenyl)ethanol (187831-22-7)

Guidance literature:

With D-glucose; D-glucose dehydrogenase; NADPH; potassium phosphate buffer; recombinant ketoreductase; In water; at 20 ℃; pH=7.0;

DOI:10.1016/j.tetasy.2005.08.037

Reference yield: 89.0%

N-[4-(2-chloro-1-oxoethyl)phenyl]methanesulfonamide (64488-52-4) → 2-chloro-1-(4'-methanesulfonamidophenyl)ethanol (157023-58-0,187831-22-7)

Guidance literature:

With D-glucose; D-glucose dehydrogenase; NADPH; potassium phosphate buffer; recombinant ketoreductase; In water; at 20 ℃; pH=7.0;

DOI:10.1016/j.tetasy.2005.08.037

Reference yield: 80.4%

N-[4-(2-chloro-1-oxoethyl)phenyl]methanesulfonamide (64488-52-4) → (+)-2-chloro-1-(4'-N-mesylaminophenyl)ethanol (124486-72-2,187831-22-7)

Guidance literature:

upstream raw materials:

N-[4-(2-chloro-1-oxoethyl)phenyl]methanesulfonamide

Isopropenyl acetate

(+)-2-chloro-1-(4'-N-mesylaminophenyl)ethanol

N-phenylmethanesulfonamide