4-Hydrazinobenzoic acid

Base Information

• Chemical Name: 4-Hydrazinobenzoic acid
• CAS No.: 619-67-0
• Molecular Formula: C7H8N2O2
• Molecular Weight: 152.153
• Hs Code.: 29280000
• European Community (EC) Number: 210-609-5
• NSC Number: 3813
• UNII: B1R368JE7O
• DSSTox Substance ID: DTXSID3020708
• Nikkaji Number: J60.373B
• Wikidata: Q27274260
• ChEMBL ID: CHEMBL3189010
• Mol file: 619-67-0.mol

Synonyms:4-hydrazinobenzoic acid;4-hydrazinobenzoic acid monohydrochloride

Chemical Property of 4-Hydrazinobenzoic acid

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 2.32E-06mmHg at 25°C
• Melting Point: 218 °C (dec.)(lit.)
• Refractive Index: 1.5200 (estimate)
• Boiling Point: 377.2 °C at 760 mmHg
• PKA: 4.14±0.10(Predicted)
• Flash Point: 181.9 °C
• PSA: 75.35000
• Density: 1.401 g/cm³
• LogP: 1.44370
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

4-Hydrazinobenzoic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)NN
• Uses: 4-Hydrazinobenzoic acid was used in the synthesis of multi-substituted dihydropyrano[2,3-c]pyrazole derivatives.

Technology Process of 4-Hydrazinobenzoic acid

There total 6 articles about 4-Hydrazinobenzoic 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: 85.2%

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 4-Hydrazinobenzoic acid (619-67-0)

Guidance literature:

4-amino-benzoic acid; With hydrogenchloride; sodium hydroxide; sodium nitrite; In water; at 0 ℃; for 0.833333h;

With tin(II) chloride dihdyrate; In water; at 0 - 20 ℃;

DOI:10.1016/j.saa.2020.118190

Reference yield: 41.0%

4-hydrazinobenzoic acid hydrochloride (24589-77-3,52455-33-1) → 4-Hydrazinobenzoic acid (619-67-0)

Guidance literature:

With dimethyl N-cyanodithioiminocarbonate; In ethanol; Heating;

DOI:10.1016/j.bioorg.2020.104098

Reference yield:

4-Bromobenzoic acid (586-76-5) → 4-Hydrazinobenzoic acid (619-67-0)

Guidance literature:

With copper(l) iodide; potassium carbonate; hydrazine hydrate; In water; at 90 ℃; for 8h;

upstream raw materials:

4-amino-benzoic acid

4-Bromobenzoic acid

4-hydrazinobenzoic acid hydrochloride

Downstream raw materials:

4-([4]pyridylmethylene-hydrazino)-benzoic acid

6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid

4-cyclohexylidenehydrazino-benzoic acid

4-{N'-[2-Phenyl-prop-(E)-ylidene]-hydrazino}-benzoic acid

Refernces

• 1、 Abuelizz, Hatem A.,Awad, Hanem M.,Marzouk, Mohamed,Nasr, Fahd A.,Bakheit, Ahmed H.,Naglah, Ahmed M.,Al-shakliah, Nasser S.,Al-Salahi, Rashad. "Exploiting the 4-hydrazinobenzoic acid moiety for the development of anticancer agents: Synthesis and biological profile". . . Retrieved 2020.
• 2、 Gou, Kun,Luo, Youfu,Luo, Yuan,Sun, Qingxiang,Tan, Yuping,Tao, Lei,Zhao, Yinglan,Zhou, Xia,Zhou, Yue,Zuo, Zeping. "Discovery of novel inhibitors of human phosphoglycerate dehydrogenase by activity-directed combinatorial chemical synthesis strategy". . . Retrieved 2021/07/26.