2-(2-Hydroxyphenyl)-N-methyl-1,3-thiazolidine-3-carbothioamide

Base Information

• Chemical Name: 2-(2-Hydroxyphenyl)-N-methyl-1,3-thiazolidine-3-carbothioamide
• CAS No.: 103076-29-5
• Molecular Formula: C11H14N2OS2
• Molecular Weight: 254.377
• DSSTox Substance ID: DTXSID40548330
• Mol file: 103076-29-5.mol

Synonyms:103076-29-5;2-(2-Hydroxyphenyl)-N-methyl-1,3-thiazolidine-3-carbothioamide;N-methyl-2-(2-hydroxyphenyl)thiazolidine-3-carbothioamide;SCHEMBL10367442;DTXSID40548330;LVPBRQIPMTXJPG-UHFFFAOYSA-N

Chemical Property of 2-(2-Hydroxyphenyl)-N-methyl-1,3-thiazolidine-3-carbothioamide

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 254.05475542
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=S)N1CCSC1C2=CC=CC=C2O

Technology Process of 2-(2-Hydroxyphenyl)-N-methyl-1,3-thiazolidine-3-carbothioamide

There total 2 articles about 2-(2-Hydroxyphenyl)-N-methyl-1,3-thiazolidine-3-carbothioamide 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:

2-mercaptoethylamine hydrochloride (156-57-0) + salicylaldehyde (90-02-8) + methyl thioisocyanate (556-61-6) → N-methyl-2-(2-hydroxyphenyl)thiazolidine-3-carbothioamide (103076-29-5)

Guidance literature:

With sodium hydroxide; In ethanol; water;

Reference yield:

salicylaldehyde (90-02-8) → N-methyl-2-(2-hydroxyphenyl)thiazolidine-3-carbothioamide (103076-29-5)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH / ethanol / 1 h / Heating

2: ethanol / 3 h / Heating

With sodium hydroxide; In ethanol;

DOI:10.1248/cpb.35.1953

Reference yield: 52.0%

1-(3-chloropropyl)-4-(3-chlorophenyl)piperazine (39577-43-0) + N-methyl-2-(2-hydroxyphenyl)thiazolidine-3-carbothioamide (103076-29-5) → 2-(2-(3-(4-(3-chlorophenyl)piperazino)propoxy)phenyl)-N-methylthiazolidine-3-thiocarboxamide (103074-36-8)

Guidance literature:

With potassium carbonate; sodium iodide; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1248/cpb.35.2394

upstream raw materials:

salicylaldehyde

2-mercaptoethylamine hydrochloride

methyl thioisocyanate

Downstream raw materials:

2-(2-(3-(4-(3-chlorophenyl)piperazino)propoxy)phenyl)-N-methylthiazolidine-3-thiocarboxamide

N-methyl-2-{2-[2-(4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-yl)ethyloxy]phenyl}thiazolidine-3-carbothioamide

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