4-Methyl-N-[(1S)-3-methyl-1-[[[(4-methylphenyl)sulfonyl]oxy]methyl]butyl]benzenesulfonamide

Base Information

• Chemical Name: 4-Methyl-N-[(1S)-3-methyl-1-[[[(4-methylphenyl)sulfonyl]oxy]methyl]butyl]benzenesulfonamide
• CAS No.: 87601-32-9
• Molecular Formula: C20H27NO5S2
• Molecular Weight: 425.57
• DSSTox Substance ID: DTXSID401121453
• Nikkaji Number: J1.461.281E

Synonyms:DTXSID401121453;87601-32-9;4-Methyl-N-[(1S)-3-methyl-1-[[[(4-methylphenyl)sulfonyl]oxy]methyl]butyl]benzenesulfonamide

Chemical Property of 4-Methyl-N-[(1S)-3-methyl-1-[[[(4-methylphenyl)sulfonyl]oxy]methyl]butyl]benzenesulfonamide

Chemical Property:

• PSA: 106.30000
• LogP: 5.95440
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 425.13306531
• Heavy Atom Count: 28
• Complexity: 662

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methyl-N-[(1S)-3-methyl-1-[[[(4-methylphenyl)sulfonyl]oxy]methyl]butyl]benzenesulfonamide

There total 5 articles about 4-Methyl-N-[(1S)-3-methyl-1-[[[(4-methylphenyl)sulfonyl]oxy]methyl]butyl]benzenesulfonamide 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: 79.0%

2-amino-4-methyl-1-pentanol (7533-40-6,16369-17-8,53448-09-2,502-32-9,14438-11-0) + p-toluenesulfonyl chloride (98-59-9) → Toluene-4-sulfonic acid (R)-4-methyl-2-(toluene-4-sulfonylamino)-pentyl ester (87601-32-9)

Guidance literature:

In pyridine; at 0 ℃;

DOI:10.1016/S0040-4039(00)88062-4

Reference yield: 72.0%

(S)-2-amino-4-methylpentan-1-ol (7533-40-6,14438-11-0) + p-toluenesulfonyl chloride (98-59-9) → (S)-4-methyl-2-(4-methylphenylsulfonamido)pentyl 4-methylbenzenesulfonate (87601-32-9)

Guidance literature:

In pyridine; for 24h; Ambient temperature;

DOI:10.1016/S0040-4020(01)83439-6

Reference yield:

(S)-Leu-OMe (2666-93-5) → (S)-4-methyl-2-(4-methylphenylsulfonamido)pentyl 4-methylbenzenesulfonate (87601-32-9)

Guidance literature:

Multi-step reaction with 2 steps

1: LAH

2: pyridine

With lithium aluminium tetrahydride; In pyridine;

upstream raw materials:

(S)-2-amino-4-methylpentan-1-ol

p-toluenesulfonyl chloride

L-leucine

(S)-Leu-OMe

Downstream raw materials:

(3RS,5S)-3-ethoxycarbonyl-5-(2-methylpropyl)-1-toluene-p-sulphonylpyrrolidin-2-one

N-((R)-1,3-Dimethyl-butyl)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionamide

(S)-N-((R)-1,3-Dimethyl-butyl)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionamide

(S)-N-(1-cyano-4-methylpentan-2-yl)-4-methylbenzenesulfonamide

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