Desmethylprodine

Base Information

• Chemical Name: Desmethylprodine
• CAS No.: 13147-09-6
• Molecular Formula: C15H21NO2
• Molecular Weight: 247.337
• Hs Code.: 2933399090
• UNII: 07SGC963IR
• DSSTox Substance ID: DTXSID80157061
• Nikkaji Number: J276.357E
• Wikipedia: Desmethylprodine
• Wikidata: Q408952
• Metabolomics Workbench ID: 146133
• ChEMBL ID: CHEMBL279865
• Mol file: 13147-09-6.mol

Synonyms:1-methyl-4-phenyl-4-propionoxypiperidine;4-propionyloxy-4-phenyl-N-methylpiperidine;4-propionyloxy-4-phenyl-N-methylpiperidine hydrochloride;4-propionyloxy-4-phenyl-N-methylpiperidine hydrochloride, 3H-labeled;PPMP

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Chemical Property of Desmethylprodine

Chemical Property:

• Vapor Pressure: 0.000145mmHg at 25°C
• Refractive Index: 1.545
• Boiling Point: 328.9 °C at 760 mmHg
• Flash Point: 111.6 °C
• PSA: 29.54000
• Density: 1.07 g/cm³
• LogP: 2.49860
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 247.157228913
• Heavy Atom Count: 18
• Complexity: 276

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OC1(CCN(CC1)C)C2=CC=CC=C2

Technology Process of Desmethylprodine

There total 8 articles about Desmethylprodine 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:

1-methyl-4-phenyl-piperidin-4-ol (4972-68-3) + propionic acid anhydride (123-62-6) → 3-demethylprodine (13147-09-6)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01626a070 DOI:10.1021/jo01170a022

Reference yield:

1-Methyl-4-piperidone (1445-73-4) → 3-demethylprodine (13147-09-6)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene

2: acetone

With acetone; benzene;

Reference yield:

phenylmagnesium bromide → 3-demethylprodine (13147-09-6)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene

2: acetone

With acetone; benzene;

upstream raw materials:

1,3,5-trimethyl-1,3,5-triazacyclohexane

propionic acid anhydride

isopropenylbenzene

3,6-dimethyl-6-phenyl-1,3-oxazinane

Downstream raw materials:

1,2,5,6-tetrahydro-1-methyl-4-phenyl-2-pyridine carbonitrile

N-Oxid-1-methyl-4-phenyl-4-piperidinol-propionat