2-Phenyl-1,3-thiazole-4-carbohydrazide

Base Information

• Chemical Name: 2-Phenyl-1,3-thiazole-4-carbohydrazide
• CAS No.: 7113-12-4
• Molecular Formula: C10H9 N3 O S
• Molecular Weight: 219.26
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID50372385
• Wikidata: Q82160069
• ChEMBL ID: CHEMBL1451634
• Mol file: 7113-12-4.mol

Synonyms:2-phenyl-1,3-thiazole-4-carbohydrazide;7113-12-4;2-phenylthiazole-4-carbohydrazide;Oprea1_493690;MLS000860227;CHEMBL1451634;SCHEMBL11511135;DTXSID50372385;2-phenylthiazole-4-carboxhydrazide;HMS2797K17;CCG-41388;MFCD00174011;AKOS005070047;SB85990;SMR000461006;2-phenyl-4-Thiazolecarboxylic acid hydrazide;CS-0317286;FT-0636357;1Y-0704;J-510273;SR-01000631472-1

Chemical Property of 2-Phenyl-1,3-thiazole-4-carbohydrazide

Chemical Property:

• Melting Point: 136-138°C
• PSA: 96.25000
• Density: 1.329g/cm³
• LogP: 2.50480
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 219.04663309
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

2-phenyl-1,3-thiazole-4-carbohydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=CS2)C(=O)NN

Technology Process of 2-Phenyl-1,3-thiazole-4-carbohydrazide

There total 4 articles about 2-Phenyl-1,3-thiazole-4-carbohydrazide 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%

2-phenylthiazole-4-carboxylic acid ethyl ester (59937-01-8) → 2-phenyl-1,3-thiazole-4-carboxylic acid hydrazide (7113-12-4)

Guidance literature:

With hydrazine hydrate; In ethanol; at 20 ℃; for 2h;

DOI:10.1007/s00044-012-0382-6

Reference yield:

benzaldehyde (100-52-7) → 2-phenyl-1,3-thiazole-4-carboxylic acid hydrazide (7113-12-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; iodine; tert.-butylhydroperoxide / 1,4-dioxane / 12 h / 70 °C / Schlenk technique; Molecular sieve; Inert atmosphere

2: hydrazine hydrate / ethanol / 5 h / Schlenk technique; Reflux

With tert.-butylhydroperoxide; iodine; potassium carbonate; hydrazine hydrate; In 1,4-dioxane; ethanol;

DOI:10.1039/c8ob02826e

Reference yield:

benzenecarbothioamide (2227-79-4) → 2-phenyl-1,3-thiazole-4-carboxylic acid hydrazide (7113-12-4)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol

2: N₂H₄*H₂O / methanol

With hydrazine hydrate; In methanol; ethanol;

DOI:10.1039/j39660001357

upstream raw materials:

2-phenylthiazole-4-carboxylic acid ethyl ester

benzenecarbothioamide

benzaldehyde

Downstream raw materials:

2-(2-phenylthiazol-4-yl)-1,3,4-oxadiazole

5-(2-phenylthiazol-4-yl)-1,3,4-oxadiazole-2-amine

5-(2-phenylthiazol-4-yl)-1,3,4-oxadiazole-2(3H)-one

5-(2-phenylthiazol-4-yl)-1,3,4-oxadiazole-2(3H)-thione

Refernces

• 1、 Thore,Gupta, Sunil V.,Baheti, Kamalkishor G.. "Docking, synthesis, and pharmacological investigation of novel substituted thiazole derivatives as non-carboxylic, anti-inflammatory, and analgesic agents". . p. 3802 - 3811. Retrieved 2013/07/26.