4-Phenyl-1,2,3-thiadiazole-5-carbohydrazide

Base Information

• Chemical Name: 4-Phenyl-1,2,3-thiadiazole-5-carbohydrazide
• CAS No.: 58756-27-7
• Molecular Formula: C₉H₈N₄OS
• Molecular Weight: 220.255
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80380276
• Wikidata: Q82170450
• ChEMBL ID: CHEMBL1335625
• Mol file: 58756-27-7.mol

Synonyms:4-phenyl-1,2,3-thiadiazole-5-carbohydrazide;58756-27-7;4-phenylthiadiazole-5-carbohydrazide;HMS549P13;CDS1_000695;Maybridge1_002983;MLS000851252;DivK1c_001735;CHEMBL1335625;DTXSID80380276;HMS2806D21;CCG-43240;SMR000457595;FT-0619381;SR-01000633176-1

Chemical Property of 4-Phenyl-1,2,3-thiadiazole-5-carbohydrazide

Chemical Property:

• Melting Point: 129℃
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 112.63000
• Density: 1.392g/cm³
• LogP: 2.08370
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 220.04188206
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

99%, ^*data from raw suppliers

4-PHENYL-1,2,3-THIADIAZOLE-5-CARBOHYDRAZIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(SN=N2)C(=O)NN

Technology Process of 4-Phenyl-1,2,3-thiadiazole-5-carbohydrazide

There total 2 articles about 4-Phenyl-1,2,3-thiadiazole-5-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:

ethyl 4-phenyl-1,2,3-thiadiazole-5-carboxylate (58756-26-6) → 4-phenyl-[1,2,3]thiadiazole-5-carboxylic acid hydrazide (58756-27-7)

Guidance literature:

With hydrazine hydrate; In ethanol;

DOI:10.1002/jps.2600650234

Reference yield:

3-phenyl-3-semicarbazono-propionic acid ethyl ester (58756-33-5) → 4-phenyl-[1,2,3]thiadiazole-5-carboxylic acid hydrazide (58756-27-7)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂

2: N₂H₄*H₂O / ethanol

With thionyl chloride; hydrazine hydrate; In ethanol;

DOI:10.1002/jps.2600650234

Reference yield:

4-phenyl-[1,2,3]thiadiazole-5-carboxylic acid hydrazide (58756-27-7) → (4-phenyl-[1,2,3]thiadiazol-5-yl)-carbamic acid benzyl ester (58756-13-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaNO₂, AcOH

With acetic acid; sodium nitrite;

DOI:10.1002/jps.2600650234

upstream raw materials:

ethyl 4-phenyl-1,2,3-thiadiazole-5-carboxylate

3-phenyl-3-semicarbazono-propionic acid ethyl ester

Downstream raw materials:

(4-phenyl-[1,2,3]thiadiazol-5-yl)-carbamic acid benzyl ester

(4-phenyl-[1,2,3]thiadiazol-5-yl)-carbamic acid methyl ester

5-ethoxycarbonylamino-4-phenyl-1,2,3-thiadiazole

(4-phenyl-[1,2,3]thiadiazol-5-yl)-carbamic acid isopropyl ester

Refernces