Nicodicodine

Base Information

• Chemical Name: Nicodicodine
• CAS No.: 808-24-2
• Molecular Formula: C24H26N2O4
• Molecular Weight: 406.481
• European Community (EC) Number: 212-365-5
• UNII: 04G0T06UGT
• DSSTox Substance ID: DTXSID40230642
• Nikkaji Number: J13.794D
• Wikipedia: Nicodicodine
• Wikidata: Q7028925
• NCI Thesaurus Code: C84010
• ChEMBL ID: CHEMBL2104623
• Mol file: 808-24-2.mol

Synonyms:Nicodicodine;Nicodicodina;Nicodicodinum;6-Nicotinoyl dihydrocodeine;Nicodicodina [DCIT];808-24-2;Nicodicodinum [INN-Latin];UNII-04G0T06UGT;Codeine, dihydro-, nicotinate;Nicodicodine [INN:BAN:DCF];04G0T06UGT;Dihydrocodein-nicotinat (ester);EINECS 212-365-5;4,5alpha-Epoxy-3-methoxy-17-methyl-6alpha-morphinanylnicotinat;Nicotinsaeure-(4,5-epoxy-3-methoxy-17-methyl-morphinan-6-yl)-ester;Nicodicodin;NICODICODINE [INN];SCHEMBL160161;Nicodicodine [BAN:DCF:INN];CHEMBL2104623;DTXSID40230642;IDS-NN-002(SECT.2);Morphinan-6.alpha.-ol, 4,5.alpha.-epoxy-3-methoxy-17-methyl-, nicotinate (ester);Q7028925;MORPHINAN-6-OL, 4,5-EPOXY-3-METHOXY-17-METHYL-, 9-(3-PYRIDINECARBOXYLATE), (5.ALPHA.,6.ALPHA.)-

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Chemical Property of Nicodicodine

Chemical Property:

• Vapor Pressure: 2.75E-12mmHg at 25°C
• Boiling Point: 553.3°Cat760mmHg
• PKA: 7.98±0.40(Predicted)
• Flash Point: 288.4°C
• PSA: 60.89000
• Density: 1.34g/cm³
• LogP: 2.92270
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 406.18925731
• Heavy Atom Count: 30
• Complexity: 688

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(CC4)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](CC4)OC(=O)C6=CN=CC=C6

Technology Process of Nicodicodine

There total 3 articles about Nicodicodine 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: 84.0%

3-pyridinecarbonyl chloride (10400-19-8) + dihydrocodeine (125-28-0) → nicotinic acid 4,5α-epoxy-3-methoxy-17-methyl-morphinan-6α-yl ester (808-24-2)

Guidance literature:

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

Reference yield:

nicotinic acid (59-67-6) → nicotinic acid 4,5α-epoxy-3-methoxy-17-methyl-morphinan-6α-yl ester (808-24-2)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 2 h / Heating

2: 84 percent / pyridine / CHCl₃ / 20 h / Ambient temperature

With pyridine; thionyl chloride; In chloroform;

Reference yield:

nicotinic anhydride (16837-38-0) + dihydrocodeine (125-28-0) → nicotinic acid 4,5α-epoxy-3-methoxy-17-methyl-morphinan-6α-yl ester (808-24-2)

Guidance literature:

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

upstream raw materials:

nicotinic anhydride

dihydrocodeine

3-pyridinecarbonyl chloride

nicotinic acid

Refernces