2-Amino-5-bromobenzoic acid

Base Information

• Chemical Name: 2-Amino-5-bromobenzoic acid
• CAS No.: 5794-88-7
• Molecular Formula: C7H6BrNO2
• Molecular Weight: 216.034
• Hs Code.: 29224999
• European Community (EC) Number: 227-338-3
• NSC Number: 97201
• UNII: Q30190723F
• DSSTox Substance ID: DTXSID20206643
• Nikkaji Number: J218.053G
• Wikidata: Q27286937
• ChEMBL ID: CHEMBL1236103
• Mol file: 5794-88-7.mol

Synonyms:2-amino-5-bromobenzoic acid

Chemical Property of 2-Amino-5-bromobenzoic acid

Chemical Property:

• Appearance/Colour: slight yellow to white powder
• Vapor Pressure: 2.91E-05mmHg at 25°C
• Melting Point: 213-215 °C(lit.)
• Refractive Index: 1.6120 (estimate)
• Boiling Point: 342.4 °C at 760 mmHg
• PKA: 4.55±0.10(Predicted)
• Flash Point: 160.9 °C
• PSA: 63.32000
• Density: 1.793 g/cm³
• LogP: 2.31070
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Light Sensitive
• Solubility.: Soluble in methanol and dimethyl sulfoxide.
• XLogP3: 1.6
• 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:

99% ^*data from raw suppliers

5-Bromoanthranilic Acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Aminobenzoic Acids
• Canonical SMILES: C1=CC(=C(C=C1Br)C(=O)O)N
• Uses: 2-Amino-5-bromobenzoic acid is a brominated derivative of Antharilinic Acid (A679222). 2-Amino-5-bromobenzoic acid displays plant growth-regulator activity. 2-Amino-5-bromobenzoic acid is used in the preparation of hepatitis C virus NS5b RNA polymerase inhibitors. It is used in the preparation of hepatitis C virus NS5b RNA polymerase inhibitors. Also used in the determination of cobalt, copper, nickel, and zinc.

Technology Process of 2-Amino-5-bromobenzoic acid

There total 38 articles about 2-Amino-5-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: 98.0%

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 5-Bromo-2-aminobenzoic acid (5794-88-7)

Guidance literature:

With 1-butyl-3-methylimidazolium tribromide; at 25 ℃; for 0.666667h;

DOI:10.1055/s-2004-831239

Reference yield: 96.0%

5-Bromo-1H-indole-2,3-dione (87-48-9) → 5-Bromo-2-aminobenzoic acid (5794-88-7)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; In water; at 80 ℃; for 1h;

Reference yield: 95.0%

5,5'-dibromo-1H,1'H-[2,2']biindolylidene-3,3'-dione (84-40-2) → 5-Bromo-2-aminobenzoic acid (5794-88-7)

Guidance literature:

5,5'-dibromo-1H,1'H-[2,2']biindolylidene-3,3'-dione; With bromamine B; sodium hydroxide; palladium dichloride; In water; acetonitrile; at 60 ℃; for 3.66667h; pH=12;

In water; Acidic conditions;

DOI:10.1080/00397910903457274

upstream raw materials:

5-bromo-2-nitrobenzoic acid

4'-bromo-2'-methylacetanilide

N,N'-(2,2,2-trichloro-ethylidene)-di-anthranilic acid

N-chlorodiethylamine

Downstream raw materials:

7-bromo-1,2,3,4-tetrahydro-acridin-9-ol

2-methyl-6-bromo-4H-3,1-benzoxazine-4-one

5-bromo-N-acetylanthranilic acid

6-bromo-2-methyl-4(3H)-quinazolinone

Refernces

• 1、 Yao, Hong,Uras, Giuseppe,Zhang, Pengfei,Xu, Shengtao,Yin, Ying,Liu, Jie,Qin, Shuai,Li, Xinuo,Allen, Stephanie,Bai, Renren,Gong, Qi,Zhang, Haiyan,Zhu, Zheying,Xu, Jinyi. "Discovery of Novel Tacrine-Pyrimidone Hybrids as Potent Dual AChE/GSK-3 Inhibitors for the Treatment of Alzheimer's Disease". . p. 7483 - 7506. Retrieved 2021/06/28.
• 2、 -. "Quinazolinone Compound and Application Thereof". Paragraph 0101-0102; 0104. . Retrieved 2020/11/27.