(S)-1-(4-(Methylsulfonyl)phenyl)ethanamine

Base Information

• Chemical Name: (S)-1-(4-(Methylsulfonyl)phenyl)ethanamine
• CAS No.: 1037798-64-3
• Molecular Formula: C9H13NO2S
• Molecular Weight: 199.274
• DSSTox Substance ID: DTXSID40426124
• Wikidata: Q82239091
• Mol file: 1037798-64-3.mol

Synonyms:(S)-1-(4-(Methylsulfonyl)phenyl)ethanamine;1037798-64-3;(1S)-1-(4-methylsulfonylphenyl)ethanamine;(1S)-1-(4-methanesulfonylphenyl)ethan-1-amine;SCHEMBL8182080;DTXSID40426124;CS-D0008;MFCD06761968;AKOS010366059;AS-38631;EN300-58614

Chemical Property of (S)-1-(4-(Methylsulfonyl)phenyl)ethanamine

Chemical Property:

• PSA: 68.54000
• LogP: 2.89090
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.06669983
• Heavy Atom Count: 13
• Complexity: 247

Purity/Quality:

97% ^*data from raw suppliers

(S)-1-(4-(Methylsulfonyl)phenyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)S(=O)(=O)C)N
• Isomeric SMILES: C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)N

Technology Process of (S)-1-(4-(Methylsulfonyl)phenyl)ethanamine

There total 1 articles about (S)-1-(4-(Methylsulfonyl)phenyl)ethanamine 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:

1-(4-(methylsulfonyl)phenyl)ethan-1-amine (387350-90-5) → (1S)-1-(4-methanesulfonylphenyl)ethanamine (1037798-64-3,387350-90-5) + (1R)-1-(4-methanesulfonylphenyl)ethanamine (1038393-47-3,387350-90-5)

Guidance literature:

With Chiralpak AY-H; In ethanol; n-heptane; diethylamine; Purification / work up; Resolution of racemate;

Reference yield: 67.0%

(1S)-1-(4-methanesulfonylphenyl)ethanamine (1037798-64-3,387350-90-5) + Boc-Gln-OH (13726-85-7) → tert-butyl N-[(1S)-3-carbamoyl-1-[[(1S)-1-(4-methanesulfonylphenyl)ethyl]carbamoyl]propyl]carbamate

Guidance literature:

With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; triethylamine; In N,N-dimethyl acetamide; at 20 ℃; for 2h; Inert atmosphere;

Reference yield:

(1S)-1-(4-methanesulfonylphenyl)ethanamine (1037798-64-3,387350-90-5) + 2-thiophene-3-yl-imidazo[1,2-a]pyridine-3,8-dicarboxylic acid (1038386-81-0) → C22H19N3O5S2

Guidance literature:

2-thiophene-3-yl-imidazo[1,2-a]pyridine-3,8-dicarboxylic acid; With N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; In dichloromethane; at -20 ℃; for 0.25h;

(1S)-1-(4-methanesulfonylphenyl)ethanamine; In dichloromethane; at -5 ℃; for 14h; Product distribution / selectivity;

upstream raw materials:

1-(4-(methylsulfonyl)phenyl)ethan-1-amine

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