Aniline, N-acetyl-3-methylthio-

Base Information

• Chemical Name: Aniline, N-acetyl-3-methylthio-
• CAS No.: 2524-78-9
• Molecular Formula: C9H11NOS
• Molecular Weight: 181.258
• Hs Code.: 29309090
• UNII: UD0476C909
• Mol file: 2524-78-9.mol

Synonyms:ANILINE, N-ACETYL-3-METHYLTHIO-;N-[3-(sulfanylmethyl)phenyl]acetamide;NSC 157358;N-Acetyl-m-methylthioaniline;N-Acetyl-3-methylthio-aniline;UD0476C909;BRN 2087488;UNII-UD0476C909;AKOS015898715;LS-19557;N-(3-(MERCAPTOMETHYL)PHENYL)ACETAMIDE;D91521;ACETAMIDE, N-(3-(MERCAPTOMETHYL)PHENYL)-

Chemical Property of Aniline, N-acetyl-3-methylthio-

Chemical Property:

• Vapor Pressure: 2.03E-05mmHg at 25°C
• Refractive Index: 1.578
• Boiling Point: 361.7 °C at 760 mmHg
• PKA: 14.68±0.70(Predicted)
• Flash Point: 172.6 °C
• PSA: 54.40000
• Density: 1.14 g/cm³
• LogP: 2.43990
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 181.05613515
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

3-Acetamidothioanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NC1=CC=CC(=C1)CS

Technology Process of Aniline, N-acetyl-3-methylthio-

There total 3 articles about Aniline, N-acetyl-3-methylthio- 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: 94.0%

acetic acid-(3-methanesulfinyl-anilide) (861377-83-5) → N-(3-(methylthio)phenyl)acetamide (2524-78-9)

Guidance literature:

With hydrogen; In 1,4-dioxane; at 100 ℃; for 3h; under 760.051 Torr; chemoselective reaction;

DOI:10.1002/anie.201403425

Reference yield:

3-methylmercaptoaniline (1783-81-9) + acetic anhydride (108-24-7) → N-(3-(methylthio)phenyl)acetamide (2524-78-9)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/acs.jafc.5b01530

Reference yield:

bis-(3-acetylamino-phenyl)-disulfide (23905-47-7) → N-(3-(methylthio)phenyl)acetamide (2524-78-9)

Guidance literature:

With sodium sulfide; sodium hydroxide; und nachfolgendes Behandeln mit Dimethylsulfat;

upstream raw materials:

bis-(3-acetylamino-phenyl)-disulfide

acetic acid-(3-methanesulfinyl-anilide)

3-methylmercaptoaniline

acetic anhydride

Downstream raw materials:

acetic acid-(3-methanesulfonyl-anilide)

acetic acid-(3-methanesulfinyl-anilide)

acetic acid-(2,4-dichloro-5-trichloromethylsulfanyl-anilide)

3-methylsulfanyl-aniline; hydrochloride