[4-(Ethanesulfonyl)phenyl]methanamine

Base Information

• Chemical Name: [4-(Ethanesulfonyl)phenyl]methanamine
• CAS No.: 583837-94-9
• Molecular Formula: C9H13NO2S
• Molecular Weight: 199.274
• Hs Code.: 2930909899
• European Community (EC) Number: 830-076-8
• ChEMBL ID: CHEMBL4537359
• Mol file: 583837-94-9.mol

Synonyms:583837-94-9;[4-(ethanesulfonyl)phenyl]methanamine;(4-(ethylsulfonyl)phenyl)methanamine;[4-(Ethanesulphonyl)phenyl]methanamine;(4-ethylsulfonylphenyl)methanamine;MFCD10032480;1-[4-(Ethylsulfonyl)phenyl]methanamine;(4-(ethanesulfonyl)phenyl)methanamine;Benzenemethanamine, 4-(ethylsulfonyl)-;4-Ethanesulfonyl-benzylamine;4-ethanesulfonylbenzylamine;4-(Ethylsulfonyl)benzylamine;SCHEMBL506696;CHEMBL4537359;SLAFBMBRXKFTDS-UHFFFAOYSA-N;(4-(ethylsufonyl) phenyl) methanmine;AKOS006302447;BS-13874;DB-087485;CS-0054352;EN300-126973;P10910;Z1198274258

Chemical Property of [4-(Ethanesulfonyl)phenyl]methanamine

Chemical Property:

• Boiling Point: 378.3±34.0 °C(Predicted)
• PKA: 8.37±0.10(Predicted)
• PSA: 68.54000
• Density: 1.188±0.06 g/cm3(Predicted)
• LogP: 2.72000
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 199.06669983
• Heavy Atom Count: 13
• Complexity: 235

Purity/Quality:

97% ^*data from raw suppliers

[4-(Ethanesulfonyl)phenyl]methanamine ^*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)CN

Technology Process of [4-(Ethanesulfonyl)phenyl]methanamine

There total 11 articles about [4-(Ethanesulfonyl)phenyl]methanamine 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: 82.0%

4-(ethylsulfonyl)benzonitrile (409112-19-2) → (4-(ethylsulfonyl)phenyl)methanamine (583837-94-9)

Guidance literature:

With ammonia; hydrogen; nickel; In tetrahydrofuran; methanol; water; at 20 ℃; for 2h; under 3750.38 Torr;

Reference yield:

1-(bromomethyl)-4-(ethylsulfonyl)benzene (90561-19-6) → (4-(ethylsulfonyl)phenyl)methanamine (583837-94-9)

Guidance literature:

With ammonium hydroxide; In methanol; water; at 20 ℃;

Reference yield:

p-cyanobenzenesulfonyl chloride (49584-26-1) → (4-(ethylsulfonyl)phenyl)methanamine (583837-94-9)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydrogencarbonate; sodium sulfite / water / 4 h / 20 - 70 °C

2: DMF (N,N-dimethyl-formamide) / 5 h / 70 °C

3: ammonia; hydrogen / nickel / tetrahydrofuran; methanol; water / 2 h / 20 °C / 3750.38 Torr

With ammonia; hydrogen; sodium hydrogencarbonate; sodium sulfite; nickel; In tetrahydrofuran; methanol; DMF (N,N-dimethyl-formamide); water;

upstream raw materials:

4-(ethylsulfonyl)benzonitrile

sodium 4-cyanobenzenesulfinate

para-thiocresol

ethyl p-tolyl sulfide

Downstream raw materials:

(4-(ethylsulfonyl)phenyl)methanamine hydrochloride