n2-Methyl-n5-[(4-methylphenyl)sulfonyl]ornithine

Base Information

• Chemical Name: n2-Methyl-n5-[(4-methylphenyl)sulfonyl]ornithine
• CAS No.: 37148-98-4
• Molecular Formula: C13H20N2O4S
• Molecular Weight: 300.3739
• NSC Number: 131049
• DSSTox Substance ID: DTXSID40299491
• Mol file: 37148-98-4.mol

Synonyms:37148-98-4;n2-methyl-n5-[(4-methylphenyl)sulfonyl]ornithine;NSC131049;DTXSID40299491;NSC-131049

Chemical Property of n2-Methyl-n5-[(4-methylphenyl)sulfonyl]ornithine

Chemical Property:

• Vapor Pressure: 1.12E-10mmHg at 25°C
• Boiling Point: 496.6°Cat760mmHg
• Flash Point: 254.1°C
• Density: 1.237g/cm³
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 300.11437830
• Heavy Atom Count: 20
• Complexity: 397

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCCCC(C(=O)O)NC

Technology Process of n2-Methyl-n5-[(4-methylphenyl)sulfonyl]ornithine

There total 2 articles about n2-Methyl-n5-[(4-methylphenyl)sulfonyl]ornithine 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:

Nα-Benzyl-Nα-methyl-Nε-tosyl-l-ornithin (37149-04-5) → Nα-Methyl-Nε-p-toluensulfonyl-l-ornithin (37148-98-4)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In acetic acid;

DOI:10.1021/jm00274a030

Reference yield:

(S)-2-Benzylamino-5-(toluene-4-sulfonylamino)-pentanoic acid → Nα-Methyl-Nε-p-toluensulfonyl-l-ornithin (37148-98-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. HCO₂H

2: H₂, aq. HCl / Pd-C / acetic acid

With hydrogenchloride; formic acid; hydrogen; palladium on activated charcoal; In acetic acid;

DOI:10.1021/jm00274a030

Reference yield:

Nα-Methyl-Nε-p-toluensulfonyl-l-ornithin (37148-98-4) → Nα-Methyl-L-ornithin (16748-29-1)

Guidance literature:

With hydrogen bromide; Heating;

DOI:10.1021/jm00274a030

upstream raw materials:

N^α-Benzyl-N^α-methyl-N^ε-tosyl-l-ornithin

Downstream raw materials:

N^α-Methyl-L-ornithin

Refernces