4-AMINO-BENZAMIDE OXIME

Base Information

• Chemical Name: 4-AMINO-BENZAMIDE OXIME
• CAS No.: 277319-62-7
• Molecular Formula: C7H9 N3 O
• Molecular Weight: 151.168
• Hs Code.: 2925290090
• Mol file: 277319-62-7.mol

Synonyms:4-Aminobenzamidoxime

Chemical Property of 4-AMINO-BENZAMIDE OXIME

Chemical Property:

• Vapor Pressure: 6.83E-07mmHg at 25°C
• Melting Point: 168-170℃
• Refractive Index: 1.631
• Boiling Point: 393.3°Cat760mmHg
• PKA: 6.84±0.69(Predicted)
• Flash Point: 191.7°C
• PSA: 84.63000
• Density: 1.34g/cm³
• LogP: 1.64480
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.074561919
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

99.9% ^*data from raw suppliers

4-Aminobenzamide oxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-42/43
• Safety Statements: 22-36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=NO)N)N
• Isomeric SMILES: C1=CC(=CC=C1/C(=N\O)/N)N
• Description: 4-amino Benzamidoxime is a synthetic intermediate useful for pharmaceutical synthesis.

Technology Process of 4-AMINO-BENZAMIDE OXIME

There total 2 articles about 4-AMINO-BENZAMIDE OXIME 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: 89.5%

4-Aminobenzonitrile (873-74-5) → 4-amino-N'-hydroxybenzimidamide (277319-62-7)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In ethanol; water; at 60 ℃; Product distribution / selectivity;

Reference yield:

4-nitrobenzonitrile (619-72-7) → 4-amino-N'-hydroxybenzimidamide (277319-62-7)

Guidance literature:

With hydroxylamine hydrochloride; potassium carbonate; In ethanol; water; at 80 ℃; for 1h;

Reference yield: 87.5%

4-amino-N'-hydroxybenzimidamide (277319-62-7) + Diethyl carbonate (105-58-8,76619-83-5) → 3-(4-aminophenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one (864680-71-7)

Guidance literature:

4-amino-N'-hydroxybenzimidamide; Diethyl carbonate; With sodium methylate; In ethanol; at 70 - 75 ℃; for 3h;

With sodium hydroxide; In water; pH=11;

With hydrogenchloride; In water; pH=5.5; Product distribution / selectivity;

upstream raw materials:

4-Aminobenzonitrile

4-nitrobenzonitrile

Downstream raw materials:

3-(4-aminophenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one

4-(5-methyl-1,2,4-oxadiazol-3-yl)-aniline

2-(5-((5-(4-chlorophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)acetamide

2-(4-aminophenyl)quinazoline-4(3H)-one

Refernces

• 1、 Ranjan, Chanda,Kumar, Jagdish,Sharma, Kalicharan,Akhter, Mymoona,Siddiqui, Anees A.,Chawla, Gita. "1, 2, 4-oxadiazole incorporated ketoprofen analogues in search of safer non-steroidal anti-inflammatory agents: Design, syntheses, biological evaluation and molecular docking Studies". . p. 590 - 601. Retrieved 2018/06/06.
• 2、 Kumpan, Katerina,Nathubhai, Amit,Zhang, Chenlu,Wood, Pauline J.,Lloyd, Matthew D.,Thompson, Andrew S.,Haikarainen, Teemu,Lehti?, Lari,Threadgill, Michael D.. "Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases". supporting information. p. 3013 - 3032. Retrieved 2015/08/03.