2-Amino-3-bromobenzoic acid

Base Information

• Chemical Name: 2-Amino-3-bromobenzoic acid
• CAS No.: 20776-51-6
• Molecular Formula: C7H6BrNO2
• Molecular Weight: 216.034
• Hs Code.: 2922499990
• European Community (EC) Number: 630-294-1
• NSC Number: 112517
• DSSTox Substance ID: DTXSID50296895
• Nikkaji Number: J83.018F
• Wikidata: Q72438392
• Mol file: 20776-51-6.mol

Synonyms:2-Amino-3-bromobenzoic acid;20776-51-6;Benzoic acid, 2-amino-3-bromo-;3-bromoanthranilic acid;2-amino-3-bromo-benzoic acid;2-Amino-3-bromobenzoicacid;MFCD03618453;3-Bromoanthralic acid;2-Amino-3-bromo-benzoicacid;NSC112517;Bromo-2-Aminobenzoesaure;SCHEMBL162974;2-amino-3-bromo benzoic acid;2-Amino-3-bromobenzoic acid #;DTXSID50296895;BCP19780;CS-B0777;2-Amino-3-bromobenzoic acid, 97%;AKOS005133183;AB15588;AC-3177;NSC 112517;NSC-112517;PS-3714;2-Amino-3-bromobenzoic acid, AldrichCPR;SY004317;AM20061165;B5177;FT-0600576;EN300-42205;J-507783;Z362758726

Chemical Property of 2-Amino-3-bromobenzoic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 2.68E-05mmHg at 25°C
• Melting Point: 173 °C
• Boiling Point: 343.5 °C at 760 mmHg
• PKA: 4.55±0.10(Predicted)
• Flash Point: 161.5 °C
• PSA: 63.32000
• Density: 1.793 g/cm³
• LogP: 2.31070
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Methanol
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 214.95819
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

98% ^*data from raw suppliers

2-Amino-3-bromobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xi,Xn,T
• Statements: 22-36/37/38-25
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Br)N)C(=O)O
• Uses: Used as pharmaceutical intermediates.

Technology Process of 2-Amino-3-bromobenzoic acid

There total 14 articles about 2-Amino-3-bromobenzoic acid 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: 99.0%

7-bromoisatin (20780-74-9) → 2-amino-3-bromo benzoic acid (20776-51-6)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; In water; at 80 ℃; for 1.25h; Inert atmosphere;

Reference yield: 87.0%

methyl 2-amino-3-bromobenzoate (104670-74-8) → 2-amino-3-bromo benzoic acid (20776-51-6)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/j.bmcl.2010.12.026

Reference yield: 25.0%

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-amino-3-bromo benzoic acid (20776-51-6) + 5-Bromo-2-aminobenzoic acid (5794-88-7)

Guidance literature:

With N-Bromosuccinimide; at 25 ℃; for 0.025h;

upstream raw materials:

7-bromoisatin

3-bromo-2-nitrobenzoic acid

2-acetylamino-3-bromo-benzoic acid

hydrogenchloride

Downstream raw materials:

1-Brom-triptycen

3-(1H-Benzoimidazol-2-ylmethyl)-8-bromo-2-phenyl-3H-quinazolin-4-one

3-[1-(1H-Benzoimidazol-2-yl)-ethyl]-8-bromo-2-phenyl-3H-quinazolin-4-one

2-methyl-4-chloro-8-bromo-quinazoline

Refernces

• 1、 -. "Bicyclic heteroaryl compound with PAR4 antagonistic activity and application thereof". Paragraph 0065-0067; 0069. . Retrieved 2020/08/02.
• 2、 Finlay, Heather J.,Johnson, James A.,Lloyd, John L.,Jiang, Ji,Neels, James,Gunaga, Prashantha,Banerjee, Abhisek,Dhondi, Naveen,Chimalakonda, Anjaneya,Mandlekar, Sandhya,Conder, Mary Lee,Sale, Harinath,Xing, Dezhi,Levesque, Paul,Wexler, Ruth R.. "Discovery of 5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)quinazolin-4-amine as a Potent IKur Inhibitor". supporting information. p. 831 - 834. Retrieved 2016/10/12.