[Methyl(naphthalene-2-sulfonyl)amino]acetate

Base Information

• Chemical Name: [Methyl(naphthalene-2-sulfonyl)amino]acetate
• CAS No.: 123760-47-4
• Molecular Formula: C₁₃H₁₃NO₄S
• Molecular Weight: 279.317
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID80924593
• Wikidata: Q82898792
• Mol file: 123760-47-4.mol

Synonyms:DTXSID80924593;[Methyl(naphthalene-2-sulfonyl)amino]acetate

Chemical Property of [Methyl(naphthalene-2-sulfonyl)amino]acetate

Chemical Property:

• Vapor Pressure: 3.63E-11mmHg at 25°C
• Boiling Point: 508.6°Cat760mmHg
• Flash Point: 261.4°C
• PSA: 83.06000
• Density: 1.395g/cm³
• LogP: 2.62570
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 278.04870404
• Heavy Atom Count: 19
• Complexity: 423

Purity/Quality:

99% ^*data from raw suppliers

2-(N-Methylnaphthalene-2-sulfonamido)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1

Technology Process of [Methyl(naphthalene-2-sulfonyl)amino]acetate

There total 4 articles about [Methyl(naphthalene-2-sulfonyl)amino]acetate 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: 84.0%

ethyl N-methyl-N-(β-naphthylsulfonyl)-glycinate (123781-78-2) → N-methyl-N-(β-naphthylsulfonyl)-glycine (123760-47-4)

Guidance literature:

With sodium hydroxide; In methanol; for 24h; Ambient temperature;

DOI:10.1016/0223-5234(88)90102-X

Reference yield:

ethyl N-(β-naphthylsulfonyl)-glycinate (115241-83-3) → N-methyl-N-(β-naphthylsulfonyl)-glycine (123760-47-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / potassium carbonate / dimethylformamide / 24 h / Ambient temperature

2: 84 percent / 2 N aq. NaOH / methanol / 24 h / Ambient temperature

With sodium hydroxide; potassium carbonate; In methanol; N,N-dimethyl-formamide;

DOI:10.1016/0223-5234(88)90102-X

Reference yield:

2-Naphthalenesulfonyl chloride (93-11-8) → N-methyl-N-(β-naphthylsulfonyl)-glycine (123760-47-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 75 percent / saturated potassium carbonate / CH₂Cl₂; H₂O / 20 h / Ambient temperature

2: 89 percent / potassium carbonate / dimethylformamide / 24 h / Ambient temperature

3: 84 percent / 2 N aq. NaOH / methanol / 24 h / Ambient temperature

With sodium hydroxide; potassium carbonate; In methanol; dichloromethane; water; N,N-dimethyl-formamide;

DOI:10.1016/0223-5234(88)90102-X

upstream raw materials:

ethyl N-methyl-N-(β-naphthylsulfonyl)-glycinate

sarcosine

ethyl N-(β-naphthylsulfonyl)-glycinate

2-Naphthalenesulfonyl chloride