2-Propanesulfinamide, N-[1-(2-fluoro-5-nitrophenyl)ethylidene]-2-methyl-, [N(E),S(R)]-

Base Information

• Chemical Name: 2-Propanesulfinamide, N-[1-(2-fluoro-5-nitrophenyl)ethylidene]-2-methyl-, [N(E),S(R)]-
• CAS No.: 1075230-62-4
• Molecular Formula: C12H15FN2O3S
• Molecular Weight: 286.327
• Mol file: 1075230-62-4.mol

Synonyms:2-Propanesulfinamide, N-[1-(2-fluoro-5-nitrophenyl)ethylidene]-2-methyl-, [N(E),S(R)]-;(R,E)-N-(1-(2-fluoro-5-nitrophenyl)ethylidene)-2-methylpropane-2-sulfinamide

Chemical Property of 2-Propanesulfinamide, N-[1-(2-fluoro-5-nitrophenyl)ethylidene]-2-methyl-, [N(E),S(R)]-

Chemical Property:

• Melting Point: 83 - 85 °C
• PSA: 94.46000
• LogP: 4.39400

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-Propanesulfinamide, N-[1-(2-fluoro-5-nitrophenyl)ethylidene]-2-methyl-, [N(E),S(R)]-

There total 4 articles about 2-Propanesulfinamide, N-[1-(2-fluoro-5-nitrophenyl)ethylidene]-2-methyl-, [N(E),S(R)]- 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: 91.0%

1-(2-fluoro-5-nitrophenyl)ethanone (79110-05-7) + (R)-2-methylpropane-2-sulfinamide (196929-78-9) → (R)-2-methylpropane-2-sulfinic acid [1-(2-fluoro-5-nitrophenyl)-(E)-ethylidene]amide (1075230-62-4)

Guidance literature:

With titanium(IV) tetraethanolate; In tetrahydrofuran; at 70 ℃; for 12h; Inert atmosphere;

Reference yield:

1-(2-fluoro-5-nitrophenyl)ethanone (79110-05-7) + S-tert-butylsulfinimide (146374-27-8) → (R)-2-methylpropane-2-sulfinic acid [1-(2-fluoro-5-nitrophenyl)-(E)-ethylidene]amide (1075230-62-4)

Guidance literature:

With titanium(IV) tetraethanolate; In tetrahydrofuran; for 20h; Reflux;

Reference yield:

2'-Fluoroacetophenone (445-27-2) → (R)-2-methylpropane-2-sulfinic acid [1-(2-fluoro-5-nitrophenyl)-(E)-ethylidene]amide (1075230-62-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: nitric acid; sulfuric acid / 1.08 h / -40 °C

1.2: Cooling with ice

2.1: titanium(IV) tetraethanolate / tetrahydrofuran / 18 h / 75 °C / Inert atmosphere

2.2: 0.5 h / 20 °C

With titanium(IV) tetraethanolate; sulfuric acid; nitric acid; In tetrahydrofuran;

upstream raw materials:

1-(2-fluoro-5-nitrophenyl)ethanone

(R)-2-methylpropane-2-sulfinamide

2'-Fluoroacetophenone

S-tert-butylsulfinimide

Downstream raw materials:

1-[(S)-1-amino-1-(2-fluoro-5-nitrophenyl)ethyl]cyclopropanecarboxylic acid hydrochloride salt

{1-[(S)-1-amino-1-(2-fluoro-5-nitro-phenyl)-ethyl]-cyclopropyl}-methanol

(S)-3-amino-3-(2-fluoro-5-nitrophenyl)butan-1-ol

(S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine