4-Methoxy-3-nitrobenzylsulfonylacetic acid

Base Information

• Chemical Name: 4-Methoxy-3-nitrobenzylsulfonylacetic acid
• CAS No.: 592542-51-3
• Molecular Formula: C10H11NO7S
• Molecular Weight: 289.266
• Hs Code.: 2918990090
• Mol file: 592542-51-3.mol

Synonyms:Aceticacid, [[(4-methoxy-3-nitrophenyl)methyl]sulfonyl]- (9CI);(4-Methoxy-2-nitrobenzylsulfonyl)acetic acid;2-(4-Methoxy-3-nitrobenzylsulfonyl)acetic acid;4-Methoxy-3-Nitrobenzylsulfonylacetic acid;

Chemical Property of 4-Methoxy-3-nitrobenzylsulfonylacetic acid

Chemical Property:

• Vapor Pressure: 1.37E-16mmHg at 25°C
• Melting Point: 137-139 °C
• Refractive Index: 1.582
• Boiling Point: 627.1 °C at 760 mmHg
• PKA: 2.39±0.10(Predicted)
• Flash Point: 333 °C
• PSA: 134.87000
• Density: 1.52 g/cm³
• LogP: 2.20680
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

2-((4-Methoxy-3-nitrobenzyl)sulfonyl)acetic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Methoxy-3-nitrobenzylsulfonylacetic acid

There total 8 articles about 4-Methoxy-3-nitrobenzylsulfonylacetic acid 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: 98.0%

2-(4-methoxy-3-nitrobenzylthio)acetic acid (22216-44-0) → 4-methoxy-3-nitrophenylmethanesulfonyl acetic acid (592542-51-3)

Guidance literature:

With dihydrogen peroxide; In acetic acid; at 50 ℃; for 6h; chemoselective reaction;

DOI:10.1016/j.bmcl.2011.03.041

Reference yield: 55.0%

(4-methoxy-benzylsulfanyl)-acetic acid (34722-37-7) → 4-methoxy-3-nitrophenylmethanesulfonyl acetic acid (592542-51-3)

Guidance literature:

With dihydrogen peroxide; In acetic acid;

Reference yield:

3-nitro-4-methoxybenzyl bromide (61010-34-2) → 4-methoxy-3-nitrophenylmethanesulfonyl acetic acid (592542-51-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium carbonate / methanol / 1 h / Reflux

2: dihydrogen peroxide / acetic acid / 6 h / 50 °C

With dihydrogen peroxide; sodium carbonate; In methanol; acetic acid;

DOI:10.1016/j.bmcl.2011.03.041

upstream raw materials:

2-(4-methoxy-3-nitrobenzylthio)acetic acid

(4-methoxy-benzylsulfanyl)-acetic acid

3-nitro-4-methoxybenzyl bromide

4-methoxy-3-nitrotoluene

Downstream raw materials:

2-(4-methoxy-3-nitrobenzylsulfonyl)acetyl chloride

C₂₃H₂₉NO₈S

(E)-2-methoxy-5-(((2,4,6-trimethoxystyryl)sulfonyl)methyl)aniline

C₁₉H₂₃NO₆S

Refernces

• 1、 Liu, Zhikun,Wang, Meng,Wang, Hengshan,Fang, Lei,Gou, Shaohua. "Platinum-Based Modification of Styrylbenzylsulfones as Multifunctional Antitumor Agents: Targeting the RAS/RAF Pathway, Enhancing Antitumor Activity, and Overcoming Multidrug Resistance". . p. 186 - 204. Retrieved 2020/01/22.
• 2、 Reddy, M. V. Ramana,Akula, Balireddy,Cosenza, Stephen C.,Athuluridivakar, Saikrishna,Mallireddigari, Muralidhar R.,Pallela, Venkat R.,Billa, Vinay K.,Subbaiah, D. R. C. Venkata,Bharathi, E. Vijaya,Vasquez-Del Carpio, Rodrigo,Padgaonkar, Amol,Baker, Stacey J.,Reddy, E. Premkumar. "Discovery of 8-cyclopentyl-2-[4-(4-methyl-piperazin-1-yl)-phenylamino]-7- oxo-7,8-dihydro-pyrido[2,3- d ]pyrimidine-6-carbonitrile (7x) as a potent inhibitor of cyclin-dependent kinase 4 (CDK4) and AMPK-related kinase 5 (ARK5)". . p. 578 - 599. Retrieved 2014/03/21.