2-Amino-4-bromobenzoic acid

Base Information

• Chemical Name: 2-Amino-4-bromobenzoic acid
• CAS No.: 20776-50-5
• Molecular Formula: C7H6BrNO2
• Molecular Weight: 216.034
• Hs Code.: 29224999
• European Community (EC) Number: 244-025-7
• UNII: WZ79Y7SDK5
• DSSTox Substance ID: DTXSID40174855
• Nikkaji Number: J83.023B
• Wikidata: Q72438398
• Mol file: 20776-50-5.mol

Synonyms:2-Amino-4-bromobenzoic acid;20776-50-5;4-Bromoanthranilic Acid;benzoic acid, 2-amino-4-bromo-;2-Amino-4-bromobenzoicacid;MFCD03618454;WZ79Y7SDK5;EINECS 244-025-7;5-Bromo-2-carboxyaniline;2-amino-4-bromo-benzoic acid;UNII-WZ79Y7SDK5;SCHEMBL148392;DTXSID40174855;2-azanyl-4-bromanyl-benzoic acid;BCP14460;2-Amino-4-bromobenzoic acid, 97%;AKOS005257742;AC-1317;CS-W003093;MB02895;PS-3686;NCGC00171016-01;SY008187;AM20060113;B3356;FT-0600641;EN300-42681;PK04_096199;VU0549291-1;A814874;W-107595;F9995-0103;Z431518646

Chemical Property of 2-Amino-4-bromobenzoic acid

Chemical Property:

• Appearance/Colour: slight yellow to white powder
• Vapor Pressure: 1.43E-05mmHg at 25°C
• Melting Point: 230-234 °C
• Refractive Index: 1.672
• Boiling Point: 352.4 °C at 760 mmHg
• PKA: 4.71±0.10(Predicted)
• Flash Point: 166.9 °C
• PSA: 63.32000
• Density: 1.793 g/cm³
• LogP: 2.31070
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: Soluble in water (slightly).
• XLogP3: 2.8
• 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

2-Amino-4-bromobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)N)C(=O)O
• Uses: 2-Amino-4-bromobenzoic acid, , is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 2-Amino-4-bromobenzoic acid

There total 25 articles about 2-Amino-4-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: 98.3%

ethyl 2-amino-4-bromobenzoate (117323-99-6) → 2-amino-4-bromobenzoic acid (20776-50-5)

Guidance literature:

ethyl 2-amino-4-bromobenzoate; With sodium hydroxide; ethanol; water; at 25 ℃; for 12h;

With hydrogenchloride; In ethanol; water; pH=1 - 3;

Reference yield: 98.0%

2-amino-4-bromo-benzoic acid methyl ester (135484-83-2) → 2-amino-4-bromobenzoic acid (20776-50-5)

Guidance literature:

2-amino-4-bromo-benzoic acid methyl ester; With water; sodium hydroxide; In tetrahydrofuran; ethanol; at 50 ℃; for 3h;

With hydrogenchloride; In water; pH=2;

Reference yield: 91.0%

(NH4)2Fe(II)(SO4)2.6H2O + 4-bromo-2-nitrobenzoic acid (99277-71-1) → Boc-piperidine quinolone + 2-amino-4-bromobenzoic acid (20776-50-5)

Guidance literature:

In concentrated aqueous NH₄OH; water; ethyl acetate;

upstream raw materials:

6-bromoisatin

4-bromo-2-nitrobenzoic acid

2-(methylcarbonylamino)-4-bromobenzoic acid

6-bromo-2-methylgramine

Downstream raw materials:

4-bromo-2-[(N-carboxymethyl)amino]benzoic acid

4-bromo-2-{[2-(methoxycarbonyl)phenyl]amino}benzoic acid

2-amino-4-iodobenzoic acid

C₄₀H₂₃Br

Refernces

• 1、 Boojamra,Burow,Thompson,Ellman. "Solid-phase synthesis of 1,4-benzodiazepine-2,5-diones. Library preparation and demonstration of synthesis generality". . p. 1240 - 1256. Retrieved 1997.
• 2、 -. "Anthranilic acid and derivatives thereof as well as synthesis method and application thereof". Paragraph 0089-0091. . Retrieved 2021/09/15.
• 3、 Li, Yang,Zhang, Cheng,Li, Zhuang,Gu, Peiyang,Wang, Zilong,Li, Hua,Lu, Jianmei,Zhang, Qichun. "Controlled deposition of large-area and highly-ordered thin films: effect of dip-coating-induced morphological evolution on resistive memory performance". supporting information. p. 3512 - 3521. Retrieved 2019/03/27.