Nicomorphine

Base Information

• Chemical Name: Nicomorphine
• CAS No.: 639-48-5
• Molecular Formula: C29H25 N3 O5
• Molecular Weight: 495.535
• Hs Code.: 2939110014
• European Community (EC) Number: 211-357-9
• UNII: Y95FRL95FW
• DSSTox Substance ID: DTXSID00213517
• Nikkaji Number: J7.049A
• Wikipedia: Nicomorphine
• Wikidata: Q7030497
• NCI Thesaurus Code: C170218
• Metabolomics Workbench ID: 154260
• ChEMBL ID: CHEMBL2106851
• Mol file: 639-48-5.mol

Synonyms:bis(nicotinyl)morphine;morphine dinicotinate;nicomorphine;nicomorphine hydrochloride;Vilan

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Chemical Property of Nicomorphine

Chemical Property:

• Vapor Pressure: 9.18E-19mmHg at 25°C
• Melting Point: 178-178.5° (corr.)
• Boiling Point: 687.7°C at 760 mmHg
• PKA: 7.68±0.40(Predicted)
• Flash Point: 369.7°C
• PSA: 90.85000
• Density: 1.43g/cm³
• LogP: 3.30430
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 495.17942091
• Heavy Atom Count: 37
• Complexity: 943

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC(=O)C6=CN=CC=C6)OC3C(C=C4)OC(=O)C7=CN=CC=C7
• Isomeric SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC(=O)C6=CN=CC=C6)O[C@H]3[C@H](C=C4)OC(=O)C7=CN=CC=C7

Technology Process of Nicomorphine

There total 4 articles about Nicomorphine 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: 95.0%

3-pyridinecarbonyl chloride (10400-19-8) + MORPHIN (57-27-2) → morphine 3,6-dinicotinate (639-48-5)

Guidance literature:

With pyridine; In chloroform; for 20h; Ambient temperature;

Reference yield:

nicotinic acid (59-67-6) → morphine 3,6-dinicotinate (639-48-5)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 2 h / Heating

2: 95 percent / pyridine / CHCl₃ / 20 h / Ambient temperature

With pyridine; thionyl chloride; In chloroform;

Reference yield:

nicotinic anhydride (16837-38-0) + MORPHIN (57-27-2) → morphine 3,6-dinicotinate (639-48-5)

Guidance literature:

Behandeln mit Nicotinoylchlorid und Pyridin;

DOI:10.1007/BF00901766

upstream raw materials:

nicotinic anhydride

MORPHIN

3-pyridinecarbonyl chloride

nicotinic acid

Downstream raw materials:

Morphine-6-nicotinate

Refernces