Nicocodine

Base Information

• Chemical Name: Nicocodine
• CAS No.: 3688-66-2
• Molecular Formula: C24H24 N2 O4
• Molecular Weight: 404.466
• Hs Code.: 2939190024
• European Community (EC) Number: 222-990-5
• UNII: DYX391P13E
• DSSTox Substance ID: DTXSID10190360
• Nikkaji Number: J15.135A
• Wikipedia: Nicocodeine
• Wikidata: Q4320074
• NCI Thesaurus Code: C84008
• ChEMBL ID: CHEMBL2105136
• Mol file: 3688-66-2.mol

Synonyms:6-nicotinoylcodeine;nicocodine;nicocodine hydrochloride;nicocodine monohydrochloride, (5alpha,6alpha)-isomer

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Chemical Property of Nicocodine

Chemical Property:

• Vapor Pressure: 3.9E-12mmHg at 25°C
• Melting Point: 134.5°C
• Refractive Index: 1.6300 (estimate)
• Boiling Point: 549.7°Cat760mmHg
• PKA: 7.78±0.40(Predicted)
• Flash Point: 286.3°C
• PSA: 60.89000
• Density: 1.36g/cm³
• LogP: 2.69870
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 404.17360725
• Heavy Atom Count: 30
• Complexity: 728

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Nicocodine

There total 5 articles about Nicocodine 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: 97.0%

3-pyridinecarbonyl chloride (10400-19-8) + codeine (76-57-3) → 4,5α-epoxy-3-methoxy-17-methyl-6α-nicotinoyloxy-morphin-7-ene (3688-66-2)

Guidance literature:

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

Reference yield:

nicotinic anhydride (16837-38-0) + codeine (76-57-3) → 4,5α-epoxy-3-methoxy-17-methyl-6α-nicotinoyloxy-morphin-7-ene (3688-66-2)

Guidance literature:

In neat (no solvent); at 125 - 135 ℃; for 1h;

Reference yield:

pyridine-3-carbonyl chloride hydrochloride (20260-53-1) + codeine (76-57-3) → 4,5α-epoxy-3-methoxy-17-methyl-6α-nicotinoyloxy-morphin-7-ene (3688-66-2)

Guidance literature:

With pyridine; at 20 - 25 ℃; for 8h;

upstream raw materials:

nicotinic anhydride

codeine

pyridine-3-carbonyl chloride hydrochloride

3-pyridinecarbonyl chloride

Refernces