N-(4-methoxyphenyl)-2-sulfanylacetamide

Base Information

• Chemical Name: N-(4-methoxyphenyl)-2-sulfanylacetamide
• CAS No.: 34282-29-6
• Molecular Formula: C9H11 N O2 S
• Molecular Weight: 197.258
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80351961
• Nikkaji Number: J1.060.725F
• Wikidata: Q82128817
• ChEMBL ID: CHEMBL5189927
• Mol file: 34282-29-6.mol

Synonyms:N-(4-methoxyphenyl)-2-sulfanylacetamide;34282-29-6;Acetamide,2-mercapto-N-(4-methoxyphenyl)-;CHEMBL5189927;N1-(4-methoxyphenyl)-2-mercaptoacetamide;2-mercapto-N-(4-methoxyphenyl)acetamide;SCHEMBL8243910;DTXSID80351961;BDBM50590260;MFCD00115437;AKOS002247072;FT-0756180;F3048-0160

Chemical Property of N-(4-methoxyphenyl)-2-sulfanylacetamide

Chemical Property:

• Melting Point: 118 °C
• PSA: 77.13000
• LogP: 1.63650
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 197.05104977
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

95+% ^*data from raw suppliers

N1-(4-METHOXYPHENYL)-2-MERCAPTO ACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NC(=O)CS

Technology Process of N-(4-methoxyphenyl)-2-sulfanylacetamide

There total 8 articles about N-(4-methoxyphenyl)-2-sulfanylacetamide 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: 99.0%

4-methoxy-aniline (104-94-9) + mercaptoacetic acid (68-11-1) → N-(p-methoxyphenyl)-2-mercaptoacetamide (34282-29-6)

Guidance literature:

at 130 ℃; for 5h; Inert atmosphere;

DOI:10.1016/j.ejmech.2014.09.001

Reference yield: 98.0%

2-S-(acetylthio)-N-(4’-(2’’-hydroxyethyl)phenyl)acetamide → N-(p-methoxyphenyl)-2-mercaptoacetamide (34282-29-6)

Guidance literature:

With potassium hydroxide; In methanol; water; at 20 ℃; for 0.75h;

DOI:10.1039/d1md00187f

Reference yield:

C28H25NO2S → N-(p-methoxyphenyl)-2-mercaptoacetamide (34282-29-6)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In dichloromethane; at 20 ℃;

DOI:10.1080/14756366.2019.1575372

upstream raw materials:

carbamoylsulfanyl-acetic acid p-anisidide

4-methoxy-aniline

mercaptoacetic acid

2-(4'-aminophenyl)ethyl alcohol

Downstream raw materials:

C₉H₈Cl₃NO₂S

4-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2H-benzo[1,4]thiazine-7-carbonitrile

Refernces

• 1、 Xu, Xi,Ren, Jie,Ma, Yinghe,Liu, Hongting,Rong, Quanjin,Feng, Yifan,Wang, Yameng,Cheng, Yu,Ge, Ruijia,Li, Zhiyu,Bian, Jinlei. "Discovery of cyanopyridine scaffold as novel indoleamine-2,3-dioxygenase 1 (IDO1) inhibitors through virtual screening and preliminary hit optimisation". . p. 250 - 263. Retrieved 2019/01/10.
• 2、 Hung, Joy M.,Arabshahi, Homayon J.,Leung, Euphemia,Reynisson, Jóhannes,Barker, David. "Synthesis and cytotoxicity of thieno[2,3-b]pyridine and furo[2,3-b]pyridine derivatives". . p. 420 - 437. Retrieved 2015/02/19.