(1S,2S)-(-)-N-(2,4,6-Trimethylphenylsulfonyl)-1,2-diphenylethane-1,2-diamine

Base Information

• Chemical Name: (1S,2S)-(-)-N-(2,4,6-Trimethylphenylsulfonyl)-1,2-diphenylethane-1,2-diamine
• CAS No.: 247923-40-6
• Molecular Formula: C23H26N2O2S
• Molecular Weight: 394.538
• European Community (EC) Number: 821-033-4
• DSSTox Substance ID: DTXSID90441928
• Nikkaji Number: J1.679.638G
• Wikidata: Q76415809
• Mol file: 247923-40-6.mol

Synonyms:247923-40-6;(1S,2S)-(-)-N-(2,4,6-TRIMETHYLPHENYLSULFONYL)-1,2-DIPHENYLETHANE-1,2-DIAMINE;N-[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL]-2,4,6-TRIMETHYLBENZENESULFONAMIDE;N-((1S,2S)-2-Amino-1,2-diphenylethyl)-2,4,6-trimethylbenzenesulfonamide;(1S,2S)-N-(2-Amino-1,2-diphenyl-ethyl)-2,4,6-trimethyl-benzenesulfonamide;SCHEMBL2959368;DTXSID90441928;MFCD11501123;CS-0133262;(1S,2S)-N-(2,4,6-Trimethylphenylsulfonyl)-1,2-diphenyl-1,2-ethanediamine;N-[(1S,2S)-2-Amino-1,2-diphenylethyl]-2,4,6- trimethylbenzenesulfonamide

Chemical Property of (1S,2S)-(-)-N-(2,4,6-Trimethylphenylsulfonyl)-1,2-diphenylethane-1,2-diamine

Chemical Property:

• PSA: 80.57000
• LogP: 6.50340
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 394.17149925
• Heavy Atom Count: 28
• Complexity: 564

Purity/Quality:

99% ^*data from raw suppliers

N-[(1R,2R)-2-Amino-1,2-diphenylethyl]-2,4,6-trimethylbenzenesulfonamide 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(C2=CC=CC=C2)C(C3=CC=CC=C3)N)C
• Isomeric SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)N[C@@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)N)C

Technology Process of (1S,2S)-(-)-N-(2,4,6-Trimethylphenylsulfonyl)-1,2-diphenylethane-1,2-diamine

There total 2 articles about (1S,2S)-(-)-N-(2,4,6-Trimethylphenylsulfonyl)-1,2-diphenylethane-1,2-diamine 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: 94.8%

2-mesitylenesulphonyl chloride (773-64-8) + (S,S)-1,2-diphenyl-1,2-diaminoethane (29841-69-8) → (S,S)-N-(2-amino-1,2-diphenyl-ethyl)-2,4,6-trimethyl-benzenesulfonamide (247923-40-6) + C2H2(C6H5)2(NHSO2C6H2(CH3)3)2 (178422-63-4)

Guidance literature:

With sodium hydroxide; water; In dichloromethane; at 0 ℃; for 1.33333h; Product distribution / selectivity;

Reference yield: 92.0%

2-mesitylenesulphonyl chloride (773-64-8) + (S,S)-1,2-diphenyl-1,2-diaminoethane (29841-69-8) → (S,S)-N-(2-amino-1,2-diphenyl-ethyl)-2,4,6-trimethyl-benzenesulfonamide (247923-40-6)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 12h; Cooling with ice;

DOI:10.1039/c0ob00757a

Reference yield: 84.0%

(2S,4S,8R)-2-((S)-isothiocyanato(6-methoxyquinolin-4-yl)methyl)-8-vinylquinuclidine (1295509-64-6) + (S,S)-N-(2-amino-1,2-diphenyl-ethyl)-2,4,6-trimethyl-benzenesulfonamide (247923-40-6) → C44H49N5O3S2 (1295509-40-8)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

DOI:10.1039/c0ob00757a

upstream raw materials:

2-mesitylenesulphonyl chloride

(S,S)-1,2-diphenyl-1,2-diaminoethane

Downstream raw materials:

C₄₄H₄₉N₅O₃S₂