1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide

Base Information

• Chemical Name: 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide
• CAS No.: 105394-88-5
• Molecular Formula: C₁₃H₁₁N₅O₄S
• Molecular Weight: 333.327
• European Community (EC) Number: 668-269-2
• Mol file: 105394-88-5.mol

Synonyms:1-(2,4-dinitrophenyl)-4-phenyl-3-thiosemicarbazide;1-(2,4-dinitroanilino)-3-phenylthiourea;105394-88-5;AKOS016025854;2-(2,4-dinitrophenyl)-N-phenylhydrazinecarbothioamide

Chemical Property of 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 333.05317502
• Heavy Atom Count: 23
• Complexity: 447

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide

There total 4 articles about 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide 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: 100.0%

phenyl isothiocyanate (103-72-0) + (2,4-dinitro-phenyl)-hydrazine (119-26-6) → 2-(2',4'-dinitrophenyl)-N-phenyl-1-hydrazinecarbothioamide (105394-88-5)

Guidance literature:

at 20 ℃;

DOI:10.1080/14786410802223778

Reference yield:

2,4-dinitrobromobenzene (584-48-5) → 2-(2',4'-dinitrophenyl)-N-phenyl-1-hydrazinecarbothioamide (105394-88-5)

Guidance literature:

Multi-step reaction with 2 steps

1: alcohol; hydrazine hydrate

2: alcohol

With ethanol; hydrazine hydrate;

Reference yield:

1-chloro-2,4-dinitro-benzene (97-00-7) → 2-(2',4'-dinitrophenyl)-N-phenyl-1-hydrazinecarbothioamide (105394-88-5)

Guidance literature:

Multi-step reaction with 2 steps

1: alcohol; hydrazine hydrate

2: alcohol

With ethanol; hydrazine hydrate;

upstream raw materials:

ethanol

phenyl isothiocyanate

(2,4-dinitro-phenyl)-hydrazine

2,4-dinitrobromobenzene

Downstream raw materials:

Cu⁽²⁺⁾*C₆H₅NHCSNNHC₆H₃(NO₂)2^(1-)*Br^(1-) = Cu(C₆H₅NHCSNNHC₆H₃(NO₂)2)Br