Methyl 5-amino-2-methansulfonyloxybenzoate

Base Information

• Chemical Name: Methyl 5-amino-2-methansulfonyloxybenzoate
• CAS No.: 80430-22-4
• Molecular Formula: C9H11NO5S
• Molecular Weight: 245.256
• European Community (EC) Number: 821-754-4
• DSSTox Substance ID: DTXSID40604187
• Wikidata: Q72487016
• Mol file: 80430-22-4.mol

Synonyms:80430-22-4;METHYL 5-AMINO-2-METHANSULFONYLOXYBENZOATE;methyl 5-amino-2-methylsulfonyloxybenzoate;Benzoic acid,5-amino-2-[(methylsulfonyl)oxy]-, methyl ester;SCHEMBL10937630;DTXSID40604187;AKOS015964012;DB-352088;Methyl 5-amino-2-((methylsulfonyl)oxy)benzoate;Methyl 5-amino-2-[(methanesulfonyl)oxy]benzoate

Chemical Property of Methyl 5-amino-2-methansulfonyloxybenzoate

Chemical Property:

• Vapor Pressure: 9.83E-09mmHg at 25°C
• Refractive Index: 1.562
• Boiling Point: 462.5 °C at 760 mmHg
• PKA: 2.33±0.10(Predicted)
• Flash Point: 233.5 °C
• PSA: 104.07000
• Density: 1.404 g/cm³
• LogP: 2.05580
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 245.03579362
• Heavy Atom Count: 16
• Complexity: 347

Purity/Quality:

99%, ^*data from raw suppliers

METHYL-5-AMINO-2-METHANSULFONYLOXYBENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC(=C1)N)OS(=O)(=O)C

Technology Process of Methyl 5-amino-2-methansulfonyloxybenzoate

There total 1 articles about Methyl 5-amino-2-methansulfonyloxybenzoate 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:

→ methyl 3-amino-6-methanesulfonyloxybenzoate (80430-22-4)

Guidance literature:

Reference yield: 84.297%

methyl 3-amino-6-methanesulfonyloxybenzoate (80430-22-4) + methyl salicylate (119-36-8,8024-54-2) → methyl 2-hydroxy-5-[(4-methanesulfonyloxy-3-methoxycarbonylphenyl)azo]benzoate

Guidance literature:

methyl 3-amino-6-methanesulfonyloxybenzoate; With hydrogenchloride; sodium nitrite; for 2h; Cooling with ice;

methyl salicylate; With potassium hydroxide; at 0 ℃; for 2h; pH=8;

Reference yield:

methyl 3-amino-6-methanesulfonyloxybenzoate (80430-22-4) + methyl 2-hydroxy-5-nitrobenzoate (17302-46-4) + methanesulfonyl chloride (124-63-0) + methyl salicylate (119-36-8,8024-54-2) → disodium azodisalicylate

Guidance literature:

With hydrogenchloride; potassium hydroxide; sodium hydroxide; sodium carbonate; sodium nitrite; palladium; In pyridine; methanol; ice-water; ethanol; water; acetic acid; isopropyl alcohol; toluene;

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