n-(3,5-Dimethylphenyl)-n-(phenylsulfonyl)glycine

Base Information

• Chemical Name: n-(3,5-Dimethylphenyl)-n-(phenylsulfonyl)glycine
• CAS No.: 5628-64-8
• Molecular Formula: C₁₀H₁₂O₃
• Molecular Weight: 180.203
• DSSTox Substance ID: DTXSID20355620
• Wikidata: Q82134629
• Mol file: 5628-64-8.mol

Synonyms:n-(3,5-dimethylphenyl)-n-(phenylsulfonyl)glycine;412939-58-3;5628-64-8;2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetic acid;CBMicro_026811;CBKinase1_000610;CBKinase1_013010;Oprea1_727214;Oprea1_777146;DTXSID20355620;MFCD01030679;AKOS000297486;BIM-0026620.P001;CS-0327404;BRD-K49853348-001-01-9;2-[N-(3,5-dimethylphenyl)benzenesulfonamido]acetic acid

Chemical Property of n-(3,5-Dimethylphenyl)-n-(phenylsulfonyl)glycine

Chemical Property:

• Vapor Pressure: 1.16E-12mmHg at 25°C
• Boiling Point: 543.9°C at 760 mmHg
• Flash Point: 282.7°C
• PSA: 83.06000
• Density: 1.326g/cm³
• LogP: 3.66410
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 319.08782920
• Heavy Atom Count: 22
• Complexity: 469

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dimethyl-6-methoxybenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2)C

Technology Process of n-(3,5-Dimethylphenyl)-n-(phenylsulfonyl)glycine

There total 7 articles about n-(3,5-Dimethylphenyl)-n-(phenylsulfonyl)glycine 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:

2-bromo-3,4-dimethyl-anisole (725227-56-5) → 6-methoxy-2,3-dimethyl-benzoic acid (5628-64-8)

Guidance literature:

With diethyl ether; magnesium; anschliessend mit CO₂ behandeln;

DOI:10.1021/ja01614a032

Reference yield:

2-bromo-3,4-dimethylphenol (32337-83-0) → 6-methoxy-2,3-dimethyl-benzoic acid (5628-64-8)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethyl sulfate; acetone; aqueous NaOH

2: magnesium; diethyl ether / anschliessend mit CO₂ behandeln

With sodium hydroxide; diethyl ether; magnesium; acetone; dimethyl sulfate;

DOI:10.1021/ja01614a032

Reference yield:

2-hydroxy-4,5-dimethylbenzoic acid (58138-52-6) → 6-methoxy-2,3-dimethyl-benzoic acid (5628-64-8)

Guidance literature:

Multi-step reaction with 4 steps

1: acetic acid; bromine

2: quinoline

3: dimethyl sulfate; acetone; aqueous NaOH

4: magnesium; diethyl ether / anschliessend mit CO₂ behandeln

With quinoline; sodium hydroxide; diethyl ether; bromine; magnesium; acetic acid; acetone; dimethyl sulfate;

DOI:10.1021/ja01614a032

upstream raw materials:

2-bromo-3,4-dimethyl-anisole

Dimethyl-<6-methoxy-2.3-dimethyl-benzyl>-amin

2-bromo-3,4-dimethylphenol

2-hydroxy-4,5-dimethylbenzoic acid