4-(3,4,5-Trihydroxythiobenzoyl)morpholine

Base Information

• Chemical Name: 4-(3,4,5-Trihydroxythiobenzoyl)morpholine
• CAS No.: 70733-98-1
• Molecular Formula: C11H13NO4S
• Molecular Weight: 255.2902
• DSSTox Substance ID: DTXSID40990991
• Nikkaji Number: J62.220F

Synonyms:BRN 0533156;4-(3,4,5-Trihydroxythiobenzoyl)morpholine;70733-98-1;Morpholine, 4-(3,4,5-trihydroxythiobenzoyl)-;1,2,3-Benzenetriol, 5-(morpholinothiocarbonyl)-;DTXSID40990991;LS-32270;5-(Morpholinocarbonothioyl)-1,2,3-benzenetriol;Morpholine, 4-[thioxo(3,4,5-trihydroxyphenyl)methyl]-;2,6-Dihydroxy-4-[(morpholin-4-yl)(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one

Chemical Property of 4-(3,4,5-Trihydroxythiobenzoyl)morpholine

Chemical Property:

• Vapor Pressure: 3.24E-05mmHg at 25°C
• Boiling Point: 317.3°C at 760 mmHg
• Flash Point: 145.7°C
• Density: 1.561g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 255.05652907
• Heavy Atom Count: 17
• Complexity: 271

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1COCCN1C(=S)C2=CC(=C(C(=C2)O)O)O

Technology Process of 4-(3,4,5-Trihydroxythiobenzoyl)morpholine

There total 3 articles about 4-(3,4,5-Trihydroxythiobenzoyl)morpholine 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-(3,4,5-triacetoxy-thiobenzoyl)-morpholine (70733-97-0) → 4-(3,4,5-trihydroxy-thiobenzoyl)-morpholine (70733-98-1)

Guidance literature:

With hydrogenchloride;

Reference yield:

3,4,5-triacetoxybenzoyl chloride (70475-59-1) → 4-(3,4,5-trihydroxy-thiobenzoyl)-morpholine (70733-98-1)

Guidance literature:

Multi-step reaction with 3 steps

2: P₂S₅

3: aq. HCl

With hydrogenchloride; tetraphosphorus decasulfide;

Reference yield:

4-(3,4,5-triacetoxy-benzoyl)-morpholine (64180-30-9) → 4-(3,4,5-trihydroxy-thiobenzoyl)-morpholine (70733-98-1)

Guidance literature:

Multi-step reaction with 2 steps

1: P₂S₅

2: aq. HCl

With hydrogenchloride; tetraphosphorus decasulfide;

upstream raw materials:

4-(3,4,5-triacetoxy-thiobenzoyl)-morpholine

3,4,5-triacetoxybenzoyl chloride

4-(3,4,5-triacetoxy-benzoyl)-morpholine

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