Phenol, 2,3-dimethoxy-5-(morpholinothiocarbonyl)-

Base Information

• Chemical Name: Phenol, 2,3-dimethoxy-5-(morpholinothiocarbonyl)-
• CAS No.: 70733-91-4
• Molecular Formula: C₁₃H₁₇NO₄S
• Molecular Weight: 283.348
• DSSTox Substance ID: DTXSID50221001
• Nikkaji Number: J79.313B
• Wikidata: Q83098555
• Mol file: 70733-91-4.mol

Synonyms:BRN 0550819;Phenol, 2,3-dimethoxy-5-(morpholinothiocarbonyl)-;4-(4,5-Dimethoxy-3-hydroxythiobenzoyl)morpholine;70733-91-4;DTXSID50221001;LS-104416;2,3-Dimethoxy-5-[morpholino(thiocarbonyl)]phenol;Morpholine, 4-[(3-hydroxy-4,5-dimethoxyphenyl)thioxomethyl]-

Chemical Property of Phenol, 2,3-dimethoxy-5-(morpholinothiocarbonyl)-

Chemical Property:

• Vapor Pressure: 1.15E-08mmHg at 25°C
• Boiling Point: 448.6°C at 760 mmHg
• Flash Point: 225.1°C
• Density: 1.288g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 283.08782920
• Heavy Atom Count: 19
• Complexity: 309

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)O)C(=S)N2CCOCC2

Technology Process of Phenol, 2,3-dimethoxy-5-(morpholinothiocarbonyl)-

There total 2 articles about Phenol, 2,3-dimethoxy-5-(morpholinothiocarbonyl)- 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:

4-(3-acetoxy-4,5-dimethoxy-thiobenzoyl)-morpholine (70733-90-3) → 4-(3-hydroxy-4,5-dimethoxy-thiobenzoyl)-morpholine (70733-91-4)

Guidance literature:

With sodium hydroxide; In ethanol;

Reference yield:

4-(3-acetoxy-4,5-dimethoxy-benzoyl)-morpholine (70734-00-8) → 4-(3-hydroxy-4,5-dimethoxy-thiobenzoyl)-morpholine (70733-91-4)

Guidance literature:

Multi-step reaction with 2 steps

1: P₂S₅

2: aq. NaOH / ethanol

With sodium hydroxide; tetraphosphorus decasulfide; In ethanol;

upstream raw materials:

4-(3-acetoxy-4,5-dimethoxy-thiobenzoyl)-morpholine

4-(3-acetoxy-4,5-dimethoxy-benzoyl)-morpholine