2-(4-methoxybenzoyl)-N-phenylhydrazinecarbothioamide

Base Information

• Chemical Name: 2-(4-methoxybenzoyl)-N-phenylhydrazinecarbothioamide
• CAS No.: 91759-66-9
• Molecular Formula: C15H15N3O2S
• Molecular Weight: 301.369
• DSSTox Substance ID: DTXSID101325604
• ChEMBL ID: CHEMBL1571160

Synonyms:2-(4-methoxybenzoyl)-N-phenylhydrazinecarbothioamide;91759-66-9;1-[(4-methoxybenzoyl)amino]-3-phenylthiourea;MLS001005714;SMR000348933;SCHEMBL7693650;CHEMBL1571160;BDBM49947;cid_2306768;DTXSID101325604;HMS2724F16;MFCD01067378;STK507116;1-p-anisoyl-4-phenylthiosemicarbazide;1-(p-anisoylamino)-3-phenyl-thiourea;AKOS001032170;LS-07122;CS-0302734;4-methoxy-N-[(phenylcarbamothioyl)amino]benzamide;A915434;1-[(4-methoxyphenyl)carbonylamino]-3-phenyl-thiourea;Z33098708;1-[[(4-methoxyphenyl)-oxomethyl]amino]-3-phenylthiourea;2-(4-Methoxybenzoyl)-N-phenylhydrazine-1-carbothioamide;2-[(4-methoxyphenyl)carbonyl]-N-phenylhydrazinecarbothioamide

Chemical Property of 2-(4-methoxybenzoyl)-N-phenylhydrazinecarbothioamide

Chemical Property:

• PSA: 94.48000
• Density: 1.302±0.06 g/cm3(Predicted)
• LogP: 3.18140
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 301.08849790
• Heavy Atom Count: 21
• Complexity: 351

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Methoxybenzoyl)-N-phenylhydrazinecarbothioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC=CC=C2

Technology Process of 2-(4-methoxybenzoyl)-N-phenylhydrazinecarbothioamide

There total 5 articles about 2-(4-methoxybenzoyl)-N-phenylhydrazinecarbothioamide 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:

4-methoxybenzoic acid hydrazide (3290-99-1) + phenyl isothiocyanate (103-72-0) → 2-(4-methoxybenzoyl)-N-phenylhydrazinecarbothioamide (91759-66-9)

Guidance literature:

In ethanol; for 1h; Yield given; Heating;

Reference yield:

ethyl 4-methoxybenzoate (94-30-4) → 2-(4-methoxybenzoyl)-N-phenylhydrazinecarbothioamide (91759-66-9)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂NNH₂*H₂O / aq. ethanol / 6 h / Heating

2: ethanol / 4 h / Heating

With hydrazine hydrate; In ethanol;

DOI:10.1021/jm00378a007

Reference yield:

4-methoxybenzoic acid (100-09-4) → 2-(4-methoxybenzoyl)-N-phenylhydrazinecarbothioamide (91759-66-9)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid

2: hydrazine hydrate / ethanol

3: ethanol

With sulfuric acid; hydrazine hydrate; In ethanol;

DOI:10.1016/j.bmc.2013.04.022

upstream raw materials:

4-methoxy-benzoyl chloride

4-Phenyl-3-thiosemicarbazide

4-methoxybenzoic acid hydrazide

phenyl isothiocyanate

Downstream raw materials:

[5-(4-methoxy-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid

2-(5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)acetic acid

ethyl 2-(5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)acetate

5-(4-methoxyphenyl)-N-phenyl-1,3,4-oxadiazol-2-amine

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