Benzenemethanamine, α-methyl-2-nitro-, (αS)-

Base Information

• Chemical Name: Benzenemethanamine, α-methyl-2-nitro-, (αS)-
• CAS No.: 198756-82-0
• Molecular Formula: C8H10 N2 O2
• Molecular Weight: 166.18
• Mol file: 198756-82-0.mol

Synonyms:Benzenemethanamine, a-methyl-2-nitro-,(S)-

Chemical Property of Benzenemethanamine, α-methyl-2-nitro-, (αS)-

Chemical Property:

• Boiling Point: 301.4±17.0 °C(Predicted)
• PKA: 7.80±0.10(Predicted)
• PSA: 71.84000
• Density: 1.199±0.06 g/cm3(Predicted)
• LogP: 2.83800

Purity/Quality:

99% ^*data from raw suppliers

(S)-1-(2-Nitrophenyl)ethanamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzenemethanamine, α-methyl-2-nitro-, (αS)-

There total 4 articles about Benzenemethanamine, α-methyl-2-nitro-, (αS)- 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: 89.0%

N-[(S)-1-(2-nitrophenyl)ethyl]phthalimide → (S)-1-(2-nitrophenyl)ethylamine (198756-82-0)

Guidance literature:

With hydrazine hydrate; In ethanol; for 0.833333h; Heating;

DOI:10.1002/anie.200502928

Reference yield:

(S)-2,2,2-trifluoro-(α-methylbenzyl)acetamide (2354-91-8,28332-81-2,39995-50-1,39995-51-2) → (S)-1-(2-nitrophenyl)ethylamine (198756-82-0) + (S)-1-(p-nitrophenyl)ethylamine (4187-53-5,22038-87-5,42142-15-4,73069-55-3)

Guidance literature:

(S)-2,2,2-trifluoro-(α-methylbenzyl)acetamide; With trifluorormethanesulfonic acid; nitric acid; In dichloromethane; at -78 - -40 ℃; for 17.5h; Inert atmosphere;

With potassium carbonate; In methanol; water; for 16h; Reflux;

DOI:10.1021/jo8023363

Reference yield:

(R)-(-)-1-(2-nitrophenyl)-1-ethanol (3205-25-2,80379-10-8,142631-59-2,108530-03-6) → (S)-1-(2-nitrophenyl)ethylamine (198756-82-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / PPh₃; DIAD / tetrahydrofuran / 3 h / 20 °C

2: 89 percent / hydrazine hydrate / ethanol / 0.83 h / Heating

With di-isopropyl azodicarboxylate; hydrazine hydrate; triphenylphosphine; In tetrahydrofuran; ethanol;

DOI:10.1002/anie.200502928

upstream raw materials:

(R)-(-)-1-(2-nitrophenyl)-1-ethanol

(S)-2,2,2-trifluoro-(α-methylbenzyl)acetamide

2-acetylnitrobenzene

Downstream raw materials:

N-((S)-1-(2-nitrophenyl)ethyl)acetamide

C₂₂H₂₉N₃O₅

Refernces

Synthesis and Characterization of Nitroaromatic Peptoids: Fine Tuning Peptoid Secondary Structure through Monomer Position and Functionality

10.1021/jo8023363

The study focuses on the synthesis and characterization of nitroaromatic peptoids, which are N-substituted glycine oligomers, to understand their secondary structure and folding properties. The researchers designed and synthesized a series of peptoid nonamers containing nitroaromatic monomer units to investigate the effects of these monomers on peptoid structure, particularly the peptoid threaded loop and helix. Key chemicals used in the study include (S)-1-(2-nitrophenyl)ethanamine (s2ne), a chiral amine building block, and peptoids containing this unit, such as Nspe(Ns2neNspe)4 (8), Ns2ne(Nspe)8 (9), and Nsnp(Nspe)8 (10). These chemicals served to probe the influence of electron-deficient and sterically encumbered R-chiral side chains on peptoid conformation. The study utilized circular dichroism spectroscopy and NMR spectroscopy for structural characterization, revealing that the nitroaromatic monomer significantly affected peptoid secondary structure, influencing the stability of hydrogen bonds and thus the overall conformation of the peptoids. This work provides insights into the design of peptoids with defined conformations for potential therapeutic applications.

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