METHYL 2-AMINO-6-FLUORO-3-NITROBENZOATE

Base Information

• Chemical Name: METHYL 2-AMINO-6-FLUORO-3-NITROBENZOATE
• CAS No.: 346691-23-4
• Molecular Formula: C8H7FN2O4
• Molecular Weight: 214.153
• Hs Code.: 2922499990
• Mol file: 346691-23-4.mol

Synonyms:METHYL 2-AMINO-6-FLUORO-3-NITROBENZOATE

Chemical Property of METHYL 2-AMINO-6-FLUORO-3-NITROBENZOATE

Chemical Property:

• Boiling Point: 360.9±42.0 °C(Predicted)
• PKA: -3.91±0.25(Predicted)
• PSA: 98.14000
• Density: 1.470±0.06 g/cm3(Predicted)
• LogP: 2.20710
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature

Purity/Quality:

99% ^*data from raw suppliers

Methyl2-Amino-6-fluoro-3-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of METHYL 2-AMINO-6-FLUORO-3-NITROBENZOATE

There total 2 articles about METHYL 2-AMINO-6-FLUORO-3-NITROBENZOATE 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: 57.0%

methyl 2,6-difluoro-3-nitrobenzoate (84832-01-9) → methyl 2-amino-6-fluoro-3-nitrobenzoate (346691-23-4)

Guidance literature:

With ammonium hydroxide; In ethanol; at 20 ℃;

Reference yield:

methyl 2,6-difluorobenzoate (13671-00-6) → methyl 2-amino-6-fluoro-3-nitrobenzoate (346691-23-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; nitric acid / 2 h

2: ammonium hydroxide / 1 h

With ammonium hydroxide; sulfuric acid; nitric acid;

DOI:10.1016/j.bmcl.2012.01.108

Reference yield: 78.0%

methyl 2-amino-6-fluoro-3-nitrobenzoate (346691-23-4) + sodium methylate (124-41-4) → 2-amino-6-methoxy-3-nitro-benzoic acid methyl ester

Guidance literature:

methyl 2-amino-6-fluoro-3-nitrobenzoate; sodium methylate; In methanol; at 0 - 20 ℃; for 1h;

With hydrogenchloride; In methanol; water;

upstream raw materials:

methyl 2,6-difluorobenzoate

methyl 2,6-difluoro-3-nitrobenzoate

Downstream raw materials:

phenylmethyl 2-amino-3-nitro-6-[(phenylmethyl)oxy]benzoate

methyl 2-amino-6-(methylamino)-3-nitrobenzoate

C₁₈H₁₈FN₃

C₁₉H₂₀FN₃

Refernces

• 1、 -. "Benzimidazole-2-piperazine compound, its pharmaceutical composition and its preparation and use". . . Retrieved 2016/10/20.
• 2、 Davies, David J.,Crowe, Matthew,Lucas, Nolwenn,Quinn, Joanna,Miller, David D.,Pritchard, Sara,Grose, David,Bettini, Ezio,Calcinaghi, Novella,Virginio, Caterina,Abberley, Lee,Goldsmith, Paul,Michel, Anton D.,Chessell, Iain P.,Kew, James N.C.,Miller, Neil D.,Gunthorpe, Martin J.. "A novel series of benzimidazole NR2B-selective NMDA receptor antagonists". . p. 2620 - 2623. Retrieved 2012/05/05.