5-(Ethylsulfonyl)-2-methoxyaniline

Base Information

• Chemical Name: 5-(Ethylsulfonyl)-2-methoxyaniline
• CAS No.: 5339-62-8
• Molecular Formula: C₉H₁₃NO₃S
• Molecular Weight: 215.273
• Hs Code.: 2922299090
• European Community (EC) Number: 226-272-2
• NSC Number: 3541
• UNII: PUW79E827Q
• DSSTox Substance ID: DTXSID40201554
• Nikkaji Number: J217.903B
• Mol file: 5339-62-8.mol

Synonyms:5339-62-8;5-(Ethylsulfonyl)-2-methoxyaniline;5-ethylsulfonyl-2-methoxyaniline;3-AMINO-4-METHOXYPHENYL ETHYL SULFONE;5-(ethanesulfonyl)-2-methoxyaniline;o-Anisidine, 5-(ethylsulfonyl)-;Fast Red GTR Base;5-Ethylsulphonyl-o-anisidine;Benzenamine, 5-(ethylsulfonyl)-2-methoxy-;5-(ethylsulphonyl)-2-methoxyaniline;AI3-17670;NSC-3541;EINECS 226-272-2;NSC3541;[5-(ethylsulfonyl)-2-methoxyphenyl]amine;5-Ethylsulfonyl-o-anisidine;C.I.37140(base);SCHEMBL588928;PUW79E827Q;2-methoxy-5-ethylsulfonylaniline;DTXSID40201554;NSC 3541;MFCD00025083;STK897776;5-ethanesulfonyl-2-methoxy-phenylamine;AKOS005173346;5-(Ethylsulfonyl)-2-methoxybenzenamine;LS-03768;BB 0216506;CS-0313997;[5-(ethylsulfonyl)-2-(methyloxy)phenyl]amine;EN300-317132;Z1269223470

Chemical Property of 5-(Ethylsulfonyl)-2-methoxyaniline

Chemical Property:

• Vapor Pressure: 2.67E-07mmHg at 25°C
• Boiling Point: 421.1°Cat760mmHg
• PKA: 2.61±0.10(Predicted)
• Flash Point: 208.5°C
• PSA: 77.77000
• Density: 1.237g/cm³
• LogP: 2.73300
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 215.06161445
• Heavy Atom Count: 14
• Complexity: 270

Purity/Quality:

98%,99%, ^*data from raw suppliers

[5-(Ethylsulfonyl)-2-methoxyphenyl]amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-(Ethylsulfonyl)-2-methoxyaniline

There total 6 articles about 5-(Ethylsulfonyl)-2-methoxyaniline 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: 89.6%

5-(ethylsulfonyl)-2-methoxy-1,3-dinitrobenzene (1432727-96-2) → 3-amino-4-methoxyphenylethyl sulfone (5339-62-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 34 ℃; for 48h;

DOI:10.3762/bjoc.9.20

Reference yield:

4-methoxy-phenyl-sulphonyl chloride (98-68-0) → 3-amino-4-methoxyphenylethyl sulfone (5339-62-8)

Guidance literature:

Multi-step reaction with 5 steps

1: sodium hydrogencarbonate; sodium sulfite / water; tetrahydrofuran / 0 - 20 °C

2: methanol / 2.16 h / Reflux; Inert atmosphere

3: nitric acid / 2 h / 100 °C

4: sulfuric acid; nitric acid / 3 h / 0 - 60 °C

5: palladium 10% on activated carbon; hydrogen / ethanol / 48 h / 34 °C

With sulfuric acid; palladium 10% on activated carbon; hydrogen; nitric acid; sodium hydrogencarbonate; sodium sulfite; In tetrahydrofuran; methanol; ethanol; water;

DOI:10.3762/bjoc.9.20

Reference yield:

sodium 4-methoxybenzenesulfinate (6462-50-6) → 3-amino-4-methoxyphenylethyl sulfone (5339-62-8)

Guidance literature:

Multi-step reaction with 4 steps

1: methanol / 2.16 h / Reflux; Inert atmosphere

2: nitric acid / 2 h / 100 °C

3: sulfuric acid; nitric acid / 3 h / 0 - 60 °C

4: palladium 10% on activated carbon; hydrogen / ethanol / 48 h / 34 °C

With sulfuric acid; palladium 10% on activated carbon; hydrogen; nitric acid; In methanol; ethanol;

DOI:10.3762/bjoc.9.20

upstream raw materials:

4-methoxy-phenyl-sulphonyl chloride

sodium 4-methoxybenzenesulfinate

1-(ethylsulfonyl)-4-methoxybenzene

4-(ethylsulfonyl)-1-methoxy-2-nitrobenzene

Downstream raw materials:

3-[(4-chlorophenyl)thio]-4-(ethylsulfonyl)-7-methoxy-2-methyl-1H-indole-1-acetic acid

3-[(4-chlorophenyl)thio]-4-(ethylsulfonyl)-7-methoxy-2-methyl-1H-indole