Methobenzmorphan

Base Information

• Chemical Name: Methobenzmorphan
• CAS No.: 3734-52-9
• Molecular Formula: C15H21NO
• Molecular Weight: 231.338
• Hs Code.: 2933399074
• European Community (EC) Number: 223-097-3
• Nikkaji Number: J501.326G
• Wikipedia: Metazocine
• NCI Thesaurus Code: C96731
• Pharos Ligand ID: KKHJP29UUXPS
• ChEMBL ID: CHEMBL257661
• Mol file: 3734-52-9.mol

Synonyms:1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-2,6-methano-3-benzazocin-8-ol;metazocine

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Chemical Property of Methobenzmorphan

Chemical Property:

• Vapor Pressure: 2.84E-05mmHg at 25°C
• Melting Point: 232-235°
• Refractive Index: 1.563
• Boiling Point: 346.6 °C at 760 mmHg
• Flash Point: 160 °C
• PSA: 23.47000
• Density: 1.077 g/cm³
• LogP: 2.48410
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 231.162314293
• Heavy Atom Count: 17
• Complexity: 305

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CC3=C(C1(CCN2C)C)C=C(C=C3)O
• Isomeric SMILES: C[C@H]1[C@@H]2CC3=C([C@@]1(CCN2C)C)C=C(C=C3)O

Technology Process of Methobenzmorphan

There total 12 articles about Methobenzmorphan 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: 62.0%

N-methyl-2-(4-methoxybenzyl)-3,4-dimethyl-1,2,5,6-tetrahydropyridine (33216-38-5) → metazocine (3734-52-9,36402-80-9,75257-89-5,1509-00-8)

Guidance literature:

With hydrogen bromide; In water; at 135 ℃; for 24h;

DOI:10.1080/00397910903531722

Reference yield:

→ metazocine (3734-52-9,36402-80-9,75257-89-5,1509-00-8)

Guidance literature:

α-2'-Methoxy-2,5,9-trimethyl-6,7-benzomorphan*HCl, 48percent HBr (Siedetemp.);

DOI:10.1021/jo01050a540

Reference yield:

→ 8-Hydroxy-2,6-methano-3,6α,11α-trimethyl-1,2,3,4,5,6-hexahydro-3-benzazocin (3734-52-9,21286-57-7,21286-60-2,25144-79-0,25145-09-9,58640-79-2,64023-94-5,67009-58-9,69831-04-5,36402-80-9,75257-89-5,1509-00-8)

Guidance literature:

2-(4-Hydroxy-benzyl)-1,3,4-trimethyl-1,2,5,6-tetrahydro-pyridin*HCl, AlBr3 (Hauptprod. neben 17percent β-Isomeres);

DOI:10.1021/jo01044a522

upstream raw materials:

(+/-)-3,6,11syn-trimethyl-8-nitro-1,2,3,4,5,6-hexahydro-2,6-methano-benz[d]azocine; hydrochloride

4-methoxybenzylmagnesium chloride

1,3,4-trimethylpyridinium iodide

N-methyl-2-(4-methoxybenzyl)-3,4-dimethyl-1,2,5,6-tetrahydropyridine

Downstream raw materials:

Thiobenzoic acid S-((6R,11R)-3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-yl) ester

(+)-6,11syn-dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benz[d]azocin-8-ol

Refernces

• 1、 Brine,Berrang,Hayes,Carroll. "An improved resolution of (±)-cis-N-normetazocine". . p. 2139 - 2143. Retrieved 2007/10/02.