3-Methoxy-N-[[[(methylamino)carbonyl]amino]thioxomethyl]benzamide

Base Information

• Chemical Name: 3-Methoxy-N-[[[(methylamino)carbonyl]amino]thioxomethyl]benzamide
• CAS No.: 138712-73-9
• Molecular Formula: C11H13N3O3S
• Molecular Weight: 267.309
• DSSTox Substance ID: DTXSID801169310
• Nikkaji Number: J435.787F

Synonyms:DTXSID801169310;138712-73-9;3-Methoxy-N-[[[(methylamino)carbonyl]amino]thioxomethyl]benzamide

Chemical Property of 3-Methoxy-N-[[[(methylamino)carbonyl]amino]thioxomethyl]benzamide

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 267.06776246
• Heavy Atom Count: 18
• Complexity: 336

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-Methoxy-N-[[[(methylamino)carbonyl]amino]thioxomethyl]benzamide

There total 2 articles about 3-Methoxy-N-[[[(methylamino)carbonyl]amino]thioxomethyl]benzamide 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:

m-anisoyl chloride (1711-05-3) → 3-Methoxy-N-(3-methyl-ureidocarbothioyl)-benzamide (138712-73-9)

Guidance literature:

Multi-step reaction with 2 steps

1: acetone / 0.5 h / 45 - 50 °C

2: acetone / 2 h / Heating

In acetone;

DOI:10.1002/jhet.5570280701

Reference yield:

3-methoxybenzoyl isothiocyanate (93048-49-8) + N-Methylurea (598-50-5) → 3-Methoxy-N-(3-methyl-ureidocarbothioyl)-benzamide (138712-73-9)

Guidance literature:

In acetone; for 2h; Yield given; Heating;

DOI:10.1002/jhet.5570280701

Reference yield: 71.9%

3-Methoxy-N-(3-methyl-ureidocarbothioyl)-benzamide (138712-73-9) → 3-Methoxy-N-(2-methyl-3-oxo-2,3-dihydro-[1,2,4]thiadiazol-5-yl)-benzamide (138712-81-9)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; at 0 ℃; for 0.833333h;

DOI:10.1002/jhet.5570280701

upstream raw materials:

3-methoxybenzoyl isothiocyanate

N-Methylurea

m-anisoyl chloride

Downstream raw materials:

3-Methoxy-N-(2-methyl-3-oxo-2,3-dihydro-[1,2,4]thiadiazol-5-yl)-benzamide

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