2-Amino-4-(methylsulfonyl)phenol

Base Information

• Chemical Name: 2-Amino-4-(methylsulfonyl)phenol
• CAS No.: 98-30-6
• Molecular Formula: C7H9 N O3 S
• Molecular Weight: 187.219
• Hs Code.: 2922299090
• European Community (EC) Number: 202-654-4
• UNII: SVT24HP8UU
• DSSTox Substance ID: DTXSID8024490
• Nikkaji Number: J64.466H
• Wikidata: Q72439680
• Mol file: 98-30-6.mol

Synonyms:98-30-6;2-AMINO-4-(METHYLSULFONYL)PHENOL;4-Methylsulfonyl-2-aminophenol;2-Amino-4-(methylsulphonyl)phenol;3-Amino-4-hydroxyphenyl Methyl Sulfone;2-amino-4-methylsulfonylphenol;CCRIS 5961;Phenol, 2-amino-4-(methylsulfonyl)-;2-amino-4-methanesulfonylphenol;EINECS 202-654-4;2-amino-4(methylsulfonyl)phenol;2-amino-4-methylsulfonyl phenol;2-AMINO-4-(METHYLSULFONYL) PHENOL;SVT24HP8UU;Oprea1_483830;Oprea1_545644;SCHEMBL634380;DTXSID8024490;2-Hydroxy-5-methylsulfonylaniline;2-Hydroxy-5-(methylsulfonyl)aniline;Amino-4-(methylsulfonyl)phenol, 2-;MFCD00719450;AKOS003614439;AC-4580;LS-2043;PS-5643;BP-13390;FT-0649877;EN300-78665;D88514;W-109368;Z57187730

Chemical Property of 2-Amino-4-(methylsulfonyl)phenol

Chemical Property:

• Appearance/Colour: LIGHT GREAY COLOUR DRY POWDER
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 156.0 to 160.0 °C
• Refractive Index: 1.603
• Boiling Point: 436.3 °C at 760 mmHg
• PKA: 7.36±0.18(Predicted)
• Flash Point: 217.6 °C
• PSA: 88.77000
• Density: 1.419 g/cm³
• LogP: 2.03990
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 187.03031432
• Heavy Atom Count: 12
• Complexity: 244

Purity/Quality:

99.9% ^*data from raw suppliers

3-Amino-4-hydroxyphenyl Methyl Sulfone >97.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-4-(methylsulfonyl)phenol

There total 3 articles about 2-Amino-4-(methylsulfonyl)phenol 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: 15.0%

2-methoxy-5-(methylsulfonyl)aniline (20945-70-4) → 1-hydroxy-2-amino-4-methylsulphonyl-benzene (98-30-6)

Guidance literature:

2-methoxy-5-(methylsulfonyl)aniline; With boron tribromide; In dichloromethane; chloroform; at 0 ℃; for 0.333333h;

With water; sodium hydrogencarbonate; pH=7;

Reference yield:

→ 1-hydroxy-2-amino-4-methylsulphonyl-benzene (98-30-6)

Guidance literature:

With sodium hydroxide; nickel; at 130 ℃; under 36775.4 Torr; Hydrogenation;

DOI:10.2165/00044011-200222050-00008

Reference yield:

→ 1-hydroxy-2-amino-4-methylsulphonyl-benzene (98-30-6)

Guidance literature:

2-Nitro-4-methylsulfon-phenol, katalytische Hydrierung;

upstream raw materials:

2-methoxy-5-(methylsulfonyl)aniline

Downstream raw materials:

5-methanesulfonyl-3H-benzooxazol-2-one

6-(methylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one

Refernces

• 1、 Geng, Bolin,Comita-Prevoir, Janelle,Eyermann, Charles J.,Reck, Folkert,Fisher, Stewart. "Exploring Left-Hand-Side substitutions in the benzoxazinone series of 4-amino-piperidine bacterial type IIa topoisomerase inhibitors". body text. p. 5432 - 5435. Retrieved 2011/10/12.
• 2、 -. "Metallized phenyl-azo-naphthol compounds". . . Retrieved 2008/06/13.