4-Acetamido-3-methylphenyl thiocyanate

Base Information

• Chemical Name: 4-Acetamido-3-methylphenyl thiocyanate
• CAS No.: 88070-26-2
• Molecular Formula: C10H10N2OS
• Molecular Weight: 206.268
• DSSTox Substance ID: DTXSID00519445
• Wikidata: Q82382640
• Mol file: 88070-26-2.mol

Synonyms:4-Acetamido-3-methylphenyl thiocyanate;88070-26-2;DTXSID00519445

Chemical Property of 4-Acetamido-3-methylphenyl thiocyanate

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 206.05138412
• Heavy Atom Count: 14
• Complexity: 258

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)SC#N)NC(=O)C

Technology Process of 4-Acetamido-3-methylphenyl thiocyanate

There total 3 articles about 4-Acetamido-3-methylphenyl thiocyanate 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: 89.0%

2-methyl-4-thiocyanatoaniline (33192-10-8) + acetic anhydride (108-24-7) → acetic acid-(2-methyl-4-thiocyanato-anilide) (88070-26-2)

Guidance literature:

In 1,4-dioxane;

Reference yield:

o-toluidine (95-53-4) → acetic acid-(2-methyl-4-thiocyanato-anilide) (88070-26-2)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloropentamethylenetetramine; acetic acid

With dichloropentamethylenetetramine; acetic acid;

Reference yield:

2-methyl-4-thiocyanatoaniline (33192-10-8) + acetyl chloride (75-36-5) → acetic acid-(2-methyl-4-thiocyanato-anilide) (88070-26-2)

Guidance literature:

With acetic acid;

upstream raw materials:

2-methyl-4-thiocyanatoaniline

acetic anhydride

acetyl chloride

o-toluidine

Downstream raw materials:

bis-(4-acetylamino-3-methyl-phenyl)-disulfide