methyl 3-amino-2-bromo-5-fluorobenzoate

Base Information

• Chemical Name: methyl 3-amino-2-bromo-5-fluorobenzoate
• CAS No.: 1342063-52-8
• Molecular Formula: C8H7BrFNO2
• Molecular Weight: 248.051
• Hs Code.: 2916399090
• Mol file: 1342063-52-8.mol

Synonyms:methyl 3-amino-2-bromo-5-fluorobenzoate;methyl 2-bromo-5-fluoro-3-aminobenzoate

Chemical Property of methyl 3-amino-2-bromo-5-fluorobenzoate

Chemical Property:

• Boiling Point: 322.8±42.0 °C(Predicted)
• PKA: 0.38±0.10(Predicted)
• PSA: 52.32000
• Density: 1.653±0.06 g/cm3(Predicted)
• LogP: 2.53820
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature

Purity/Quality:

≥99.0% ^*data from raw suppliers

Methyl 3-amino-2-bromo-5-fluorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of methyl 3-amino-2-bromo-5-fluorobenzoate

There total 3 articles about methyl 3-amino-2-bromo-5-fluorobenzoate 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: 87.0%

methyl 2-bromo-5-fluoro-3-nitrobenzoate (328547-12-2) → methyl 3-amino-2-bromo-5-fluorobenzoate (1342063-52-8)

Guidance literature:

With iron; acetic acid; In ethanol; at 85 ℃; for 1h; Inert atmosphere;

Reference yield:

2-Bromo-5-fluorobenzoic acid (394-28-5) → methyl 3-amino-2-bromo-5-fluorobenzoate (1342063-52-8)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid; nitric acid / 2.5 h / 5 - 10 °C / Inert atmosphere

2: thionyl chloride / 1 h / 10 - 65 °C / Inert atmosphere

3: acetic acid; iron / ethanol / 1 h / 85 °C / Inert atmosphere

With thionyl chloride; sulfuric acid; nitric acid; iron; acetic acid; In ethanol;

Reference yield:

2-bromo-5-fluoro-3-nitrobenzoic acid (1055331-73-1) → methyl 3-amino-2-bromo-5-fluorobenzoate (1342063-52-8)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 1 h / 10 - 65 °C / Inert atmosphere

2: acetic acid; iron / ethanol / 1 h / 85 °C / Inert atmosphere

With thionyl chloride; iron; acetic acid; In ethanol;

upstream raw materials:

2-Bromo-5-fluorobenzoic acid

2-bromo-5-fluoro-3-nitrobenzoic acid

methyl 2-bromo-5-fluoro-3-nitrobenzoate

Downstream raw materials:

methyl 3-amino-5-fluorobenzoate

methyl 2-bromo-5-fluoro-3-(2,2,2-trifluoroacetamido)-benzoate

(10aR)-2-fluoro-5,8,9,10,10a,11-hexahydro-10a-methyl-5,6,7a,11-tetraazacyclohepta[def]cyclopenta[a]fluoren-4(7H)-one

(R)-methyl 9-fluoro-11b-methyl-6-oxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-7-carboxylate

Refernces

• 1、 -. "FUSED TETRA OR PENTA-CYCLIC PYRIDOPHTHALAZINONES AS PARP INHIBITORS". . . Retrieved 2015/02/18.