5-Methyl-3-phenyl-4-isoxazolecarbohydrazide

Base Information

• Chemical Name: 5-Methyl-3-phenyl-4-isoxazolecarbohydrazide
• CAS No.: 18336-75-9
• Molecular Formula: C11H11 N3 O2
• Molecular Weight: 217.227
• DSSTox Substance ID: DTXSID80352493
• Wikidata: Q82129666
• Mol file: 18336-75-9.mol

Synonyms:18336-75-9;5-methyl-3-phenyl-4-isoxazolecarbohydrazide;5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide;5-methyl-3-phenylisoxazole-4-carbohydrazide;4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-, hydrazide;5-Methyl-3-phenyl-isoxazole-4-carboxylic acid hydrazide;Cambridge id 5310735;SCHEMBL1930296;DTXSID80352493;NVDQWXGHTJREBS-UHFFFAOYSA-N;MFCD00119108;STK031024;AKOS000544036;CS-0448916;FT-0680272;3F-067;5-methyl-3-phenyl-isoxazol-4-ylcarbonylhydrazine;AB00080045-01;ETHYL2,4,5-TRIOXOIMIDAZOLIDINE-1-ACETATE;SR-01000432755;J-517786;SR-01000432755-1;4-Isoxazolecarboxylicacid,5-methyl-3-phenyl-,hydrazide;5-methyl-3-phenyl-4-isoxazolecarbohydrazide, AldrichCPR

Chemical Property of 5-Methyl-3-phenyl-4-isoxazolecarbohydrazide

Chemical Property:

• Melting Point: 173-175°C
• Boiling Point: °Cat760mmHg
• PKA: 10.94±0.10(Predicted)
• Flash Point: °C
• PSA: 81.15000
• Density: 1.244 g/cm³
• LogP: 2.34470
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 217.085126602
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

98%min ^*data from raw suppliers

5-Methyl-3-phenyl-4-isoxazolecarbohydrazide >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22-36/37/38:
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN

Technology Process of 5-Methyl-3-phenyl-4-isoxazolecarbohydrazide

There total 6 articles about 5-Methyl-3-phenyl-4-isoxazolecarbohydrazide 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: 85.0%

5-methyl-3-phenylisoxazol-4-carboxylic acid (1136-45-4) → 5-methyl-3-phenylisoxazole-4-carbohydrazide (18336-75-9)

Guidance literature:

5-methyl-3-phenylisoxazol-4-carboxylic acid; With 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 20 - 70 ℃; for 0.75h;

With hydrazine; In tetrahydrofuran; at 0 - 15 ℃; for 0.533333h;

Reference yield: 81.0%

N-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-5-methyl-3-phenylisoxazole-4-carboxamide → 2-amino-1H-benzo[de]isoquinoline-1,3(2H)-dione (5690-46-0) + 5-methyl-3-phenylisoxazole-4-carbohydrazide (18336-75-9)

Guidance literature:

With hydrazine hydrate; In ethanol; for 3h; Reflux;

DOI:10.1002/chem.202102593

Reference yield:

5-methyl-3-phenylisoxazole-4-carbonyl chloride (16883-16-2) → 5-methyl-3-phenylisoxazole-4-carbohydrazide (18336-75-9)

Guidance literature:

With hydrazine hydrate; In diethyl ether; ethanol;

DOI:10.1007/BF00760824

upstream raw materials:

5-methyl-3-phenylisoxazole-4-carbonyl chloride

5-methyl-3-phenylisoxazol-4-carboxylic acid

ethyl 5-methyl-3-phenylisoxazole-4-carboxylate

benzaldehyde

Downstream raw materials:

1-(3'-Phenyl-5'-methyl-4'-isoxazolyl)-2-furoylhydrazine

5-methyl-3-phenyl-isoxazole-4-carboxylic acid N'-[3-(5-nitro-furan-2-yl)-acryloyl]-hydrazide

1,2-Bis(3'-phenyl-5'-methyl-4'-isoxazolyl)hydrazine

5-methyl-3-phenyl-isoxazole-4-carboxylic acid (1⁽³⁾H-imidazol-4-ylmethylene)-hydrazide

Refernces

• 1、 Basavanna, V.,Bhadraiah, U. K.,Chandra,Chandramouli, M.,Doddamani, Shridevi,Kempaiah, C.,Lingegowda, N. S.,Ningaiah, S.. "A New Series of 1,3,4-Oxadiazole Linked Quinolinyl-Pyrazole/Isoxazole Derivatives: Synthesis and Biological Activity Evaluation". . p. 2257 - 2266. Retrieved 2021/12/23.
• 2、 Khisamutdinov,Strukov,Golubkova,Kiselev. "Synthesis of certain derivatives of 3-phenyl-5-methyl-4-isoxazolearboxylic acid". . p. 633 - 634. Retrieved 2007/10/08.