2-(4-Methoxybenzoyl)-N-methylhydrazinecarbothioamide

Base Information

• Chemical Name: 2-(4-Methoxybenzoyl)-N-methylhydrazinecarbothioamide
• CAS No.: 154106-04-4
• Molecular Formula: C₁₀H₁₃N₃O₂S
• Molecular Weight: 239.298
• DSSTox Substance ID: DTXSID101184280
• Mol file: 154106-04-4.mol

Synonyms:154106-04-4;DTXSID101184280;AKOS000405560;SR-01000317815;2-(4-Methoxybenzoyl)-N-methylhydrazinecarbothioamide;SR-01000317815-1;4-METHOXY-N-[(METHYLCARBAMOTHIOYL)AMINO]BENZAMIDE;4-Methoxybenzoic acid 2-[(methylamino)thioxomethyl]hydrazide

Chemical Property of 2-(4-Methoxybenzoyl)-N-methylhydrazinecarbothioamide

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 239.07284784
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNC(=S)NNC(=O)C1=CC=C(C=C1)OC

Technology Process of 2-(4-Methoxybenzoyl)-N-methylhydrazinecarbothioamide

There total 3 articles about 2-(4-Methoxybenzoyl)-N-methylhydrazinecarbothioamide 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: 82.0%

methyl isocyanate (593-75-9,685498-28-6) + 4-methoxybenzoic acid hydrazide (3290-99-1) → 2-(4-methoxybenzoyl)-N-methylhydrazine-1-carbothioamide (154106-04-4)

Guidance literature:

methyl isocyanate; With {(η⁵-C₅Me₅)Mo[N(ⁱPr)C(Ph)N(ⁱPr)]}₂(μ-η¹:η¹-N₂); In tetrahydrofuran; for 0.5h;

4-methoxybenzoic acid hydrazide; With sulfur; In tetrahydrofuran; at 85 ℃; for 16h; Schlenk technique; Sealed tube;

DOI:10.1021/acs.organomet.6b00302

Reference yield: 64.0%

4-methoxybenzoic acid hydrazide (3290-99-1) + methyl thioisocyanate (556-61-6) → 2-(4-methoxybenzoyl)-N-methylhydrazine-1-carbothioamide (154106-04-4)

Guidance literature:

In tetrahydrofuran; for 2h; Heating;

Reference yield:

4-methoxy-benzoyl chloride (100-07-2) + 4-methylthiosemicarbazide (6610-29-3) → 2-(4-methoxybenzoyl)-N-methylhydrazine-1-carbothioamide (154106-04-4)

Guidance literature:

With pyridine;

DOI:10.1039/jr9490001163 DOI:10.1016/0223-5234(96)80367-9

upstream raw materials:

4-methoxy-benzoyl chloride

4-methylthiosemicarbazide

4-methoxybenzoic acid hydrazide

methyl thioisocyanate

Downstream raw materials:

3-(4-methoxyphenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole

(6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-3-[5-(4-methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-Amino-3-[5-(4-methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

5-(4-methoxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione