Methyl 4-amino-2-bromobenzoate

Base Information

• Chemical Name: Methyl 4-amino-2-bromobenzoate
• CAS No.: 98545-64-3
• Molecular Formula: C8H8BrNO2
• Molecular Weight: 230.061
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID80412824
• Wikidata: Q82220455
• Mol file: 98545-64-3.mol

Synonyms:methyl 4-amino-2-bromobenzoate;98545-64-3;Benzoic acid, 4-amino-2-bromo-, methyl ester;MFCD00859376;Methyl4-amino-2-bromobenzoate;4-amino-2-bromo-benzoic acid methyl ester;Benzoic acid,4-amino-2-bromo-,methyl ester;methyl-2-bromo-4-aminobenzoate;SCHEMBL3172089;DTXSID80412824;KZOQVTUWEHNNMH-UHFFFAOYSA-N;CL9065;AKOS015953299;AM83234;DS-6305;SY059500;CS-0041853;EN300-1710178;Z1269157980

Chemical Property of Methyl 4-amino-2-bromobenzoate

Chemical Property:

• Vapor Pressure: 6.24E-05mmHg at 25°C
• Melting Point: 94 °C
• Boiling Point: 345.2oC at 760 mmHg
• PKA: 1.39±0.10(Predicted)
• Flash Point: 162.6oC
• PSA: 52.32000
• Density: 1.578g/cm3
• LogP: 2.39910
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 228.97384
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-amino-2-bromobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=C(C=C1)N)Br

Technology Process of Methyl 4-amino-2-bromobenzoate

There total 7 articles about Methyl 4-amino-2-bromobenzoate 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%

methyl 2-bromo-4-nitrobenzoate (100959-22-6) → methyl-2-bromo-4-aminobenzoate (98545-64-3)

Guidance literature:

With tin(II) chloride dihdyrate; In ethanol; at 70 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2020.152704

Reference yield: 96.0%

methyl 2-bromo-4-nitrobenzoate (100959-22-6) + 2-bromo-4-methoxyaniline (32338-02-6) → methyl-2-bromo-4-aminobenzoate (98545-64-3)

Guidance literature:

Reference yield: 95.0%

methyl 2-bromo-4-nitrobenzoate (100959-22-6) + iron (7439-89-6) → methyl-2-bromo-4-aminobenzoate (98545-64-3)

Guidance literature:

With ammonium chloride; In aqueous 2-propanol;

upstream raw materials:

methyl 2-bromo-4-nitrobenzoate

iron

2-bromo-4-nitrotoluene

2-bromo-4-nitrobenzoic acid

Downstream raw materials:

2-bromo-4-(pyrrol-1-yl)benzoic acid methyl ester

2-bromo-4-(pyrrol-1-yl)benzyl alcohol

phenyl(1-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)pyrrol-2-yl)methanone

phenyl(1-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)pyrrol-3-yl)methanone