3-((methylsulfonyl)methyl)aniline

Base Information

• Chemical Name: 3-((methylsulfonyl)methyl)aniline
• CAS No.: 261925-02-4
• Molecular Formula: C8H11NO2S
• Molecular Weight: 185.247
• Hs Code.: 2930909899
• Mol file: 261925-02-4.mol

Synonyms:3-(methylsulfonylmethyl)phenylamine;Methyl-(3-amino-benzyl)-sulfon;3-[(methylsulfonyl)methyl]aniline;3-methanesulfonylmethyl-aniline;3-Methylsulfonmethyl-anilin;3-Methansulfonylmethyl-anilin;3-Methanesulfonylmethyl-phenylamine;

Chemical Property of 3-((methylsulfonyl)methyl)aniline

Chemical Property:

• Melting Point: 126 °C
• Boiling Point: 434.6±28.0 °C(Predicted)
• PKA: 4.02±0.10(Predicted)
• PSA: 68.54000
• Density: 1.272±0.06 g/cm3(Predicted)
• LogP: 2.47540

Purity/Quality:

99% ^*data from raw suppliers

3-(methanesulfonylmethyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-((methylsulfonyl)methyl)aniline

There total 5 articles about 3-((methylsulfonyl)methyl)aniline 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: 100.0%

1-(methylsulfonylmethyl)-3-nitrobenzene (261924-46-3) → 3-((methylsulfonyl)methyl)aniline (261925-02-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃;

Reference yield:

1-[(methylsulfanyl)methyl]-3-nitrobenzene (51392-54-2) → 3-((methylsulfonyl)methyl)aniline (261925-02-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 63 percent / 3-chloroperbenzoic acid / CH₂Cl₂ / 0 °C

2: 79 percent / H₂ / Pd/C / ethyl acetate / 2844.31 Torr

With hydrogen; 3-chloro-benzenecarboperoxoic acid; palladium on activated charcoal; In dichloromethane; ethyl acetate;

DOI:10.1016/j.bmcl.2005.05.096

Reference yield:

3-Nitrobenzyl chloride (619-23-8) → 3-((methylsulfonyl)methyl)aniline (261925-02-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 85 percent / ethanol

2: 63 percent / 3-chloroperbenzoic acid / CH₂Cl₂ / 0 °C

3: 79 percent / H₂ / Pd/C / ethyl acetate / 2844.31 Torr

With hydrogen; 3-chloro-benzenecarboperoxoic acid; palladium on activated charcoal; In ethanol; dichloromethane; ethyl acetate;

DOI:10.1016/j.bmcl.2005.05.096

upstream raw materials:

1-(methylsulfonylmethyl)-3-nitrobenzene

1-[(methylsulfanyl)methyl]-3-nitrobenzene

3-Nitrobenzyl chloride

sodium hydrogencarbonate

Downstream raw materials:

N-(4-{[2-(3-methanesulfonylmethyl-phenylamino)-pyrimidin-4-yl]-methyl-amino}-phenyl)-acetamide

4-[2-(cyclopropyloxy)-4-fluorophenyl]-N-{3-[(methylsulfonyl)methyl]phenyl}-1,3,5-triazin-2-amine

4-(2-ethoxy-4-fluorophenyl)-N-{3-[(methylsulfonyl)methyl]phenyl}-1,3,5-triazin-2-amine

4-(2,4-difluorophenyl)-N-{3-[(methylsulfonyl)methyl]phenyl}-1,3,5-triazin-2-amine

Refernces

• 1、 Bayliss, Richard,Boxall, Kathy,Carbain, Benoit,Coxon, Christopher R.,Fry, Andrew M.,Golding, Bernard T.,Griffin, Roger J.,Hardcastle, Ian R.,Harnor, Suzannah J.,Mas-Droux, Corine,Matheson, Christopher J.,Newell, David R.,Richards, Mark W.,Sivaprakasam, Mangaleswaran,Turner, David,Cano, Céline. "2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase". supporting information. p. 707 - 731. Retrieved 2020/08/24.
• 2、 Lücking, Ulrich,Scholz, Arne,Lienau, Philip,Siemeister, Gerhard,Kosemund, Dirk,Bohlmann, Rolf,Briem, Hans,Terebesi, Ildiko,Meyer, Kirstin,Prelle, Katja,Denner, Karsten,B?mer, Ulf,Sch?fer, Martina,Eis, Knut,Valencia, Ray,Ince, Stuart,von Nussbaum, Franz,Mumberg, Dominik,Ziegelbauer, Karl,Klebl, Bert,Choidas, Axel,Nussbaumer, Peter,Baumann, Matthias,Schultz-Fademrecht, Carsten,Rühter, Gerd,Eickhoff, Jan,Brands, Michael. "Identification of Atuveciclib (BAY 1143572), the First Highly Selective, Clinical PTEFb/CDK9 Inhibitor for the Treatment of Cancer". . p. 1776 - 1793. Retrieved 2017/10/23.