N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide

Base Information

• Chemical Name: N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide
• CAS No.: 96447-49-3
• Molecular Formula: C12H15 N5 O S
• Molecular Weight: 277.35
• Hs Code.: 2933990090
• NSC Number: 695067
• DSSTox Substance ID: DTXSID70352306
• ChEMBL ID: CHEMBL2002164
• Mol file: 96447-49-3.mol

Synonyms:96447-49-3;N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide;3-amino-1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea;NSC695067;1-amino-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea;SR-01000005191;ACIDRED151;Oprea1_353560;SCHEMBL7842377;CHEMBL2002164;DTXSID70352306;MFCD00433619;STK852634;AKOS000267732;NSC-695067;NCI60_034042;UPCMLD0ENAT0514-5140:001;EN300-03848;SR-01000005191-1;SR-01000005191-2;Z56175842;F0207-0659;1-amino-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea

Chemical Property of N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide

Chemical Property:

• Vapor Pressure: 7.82E-07mmHg at 25°C
• Boiling Point: 407°Cat760mmHg
• Flash Point: 199.9°C
• PSA: 109.10000
• Density: 1.4g/cm³
• LogP: 1.80870
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 277.09973129
• Heavy Atom Count: 19
• Complexity: 416

Purity/Quality:

NLT 98% ^*data from raw suppliers

N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN

Technology Process of N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide

There total 6 articles about N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide 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:

S-methylantipyrine carbodithioate → 4-(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)thiosemicarbazide (96447-49-3)

Guidance literature:

With hydrazine hydrate; In ethanol; for 8h; Reflux;

DOI:10.3390/molecules24183313

Reference yield:

4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one (83-07-8) → 4-(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)thiosemicarbazide (96447-49-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₄OH / 1 h / Ambient temperature

2: N₂H₄*H₂O / 3 h / Heating

With ammonium hydroxide; hydrazine hydrate;

Reference yield:

(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-dithiocarbamic acid methyl ester (93126-71-7) → 4-(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)thiosemicarbazide (96447-49-3)

Guidance literature:

With hydrazine hydrate;

DOI:10.1016/j.ica.2018.08.013

upstream raw materials:

1-allyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-thiourea

4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one

(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-dithiocarbamic acid methyl ester

Downstream raw materials:

C₂₁H₂₀N₆O₃S

C₂₀H₁₈N₆O₂S

C₁₉H₁₈ClN₅OS

C₁₉H₁₈N₆O₃S