1,2,3,4,5,6-Hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol

Base Information

• Chemical Name: 1,2,3,4,5,6-Hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol
• CAS No.: 16808-63-2
• Molecular Formula: C14H19 N O
• Molecular Weight: 217.311
• Hs Code.: 2933990090
• European Community (EC) Number: 240-838-6,246-653-7,257-643-7
• DSSTox Substance ID: DTXSID50937433
• Nikkaji Number: J186.728H
• Mol file: 16808-63-2.mol

Synonyms:5,9 alpha-dimethyl-2'-hydroxy-6,7-benzomorphan;norcyclazocine;normetazocine;normetazocine citrate, (2R-(2alpha,6alpha,11R*))-(R-(R*,R*)) isomer;normetazocine hydrobromide, (2S-(2alpha,6alpha,11S*))-isomer;normetazocine hydrochloride, (2alpha,6alpha,11R*)-isomer;normetazocine tartrate(+)-(cis(-))-isomer;normetazocine tartrate(-)-(cis(+))-isomer;normetazocine tartrate, (2S-(2alpha,6alpha,11R*))-isomer;normetazocine, (2alpha,6alpha,11R*)-(+-)-isomer;normetazocine, (2alpha,6alpha,11R*)-isomer;normetazocine, (2alpha,6alpha,11S*)-(+-)-isomer;normetazocine, (2R-(2alpha,6alpha,11R*))-isomer;normetazocine, (2R-(2alpha,6alpha,11S*))-isomer;normetazocine, (2S-(2alpha,6alpha,11S*))-isomer

Chemical Property of 1,2,3,4,5,6-Hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol

Chemical Property:

• Boiling Point: 355.8°Cat760mmHg
• PKA: 9.79±0.60(Predicted)
• Flash Point: 128°C
• PSA: 32.26000
• Density: 1.088g/cm³
• LogP: 2.53280
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 217.146664230
• Heavy Atom Count: 16
• Complexity: 280

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CC3=C(C1(CCN2)C)C=C(C=C3)O

Technology Process of 1,2,3,4,5,6-Hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol

There total 7 articles about 1,2,3,4,5,6-Hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol 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:

→ 8-Hydroxy-2,6-methano-6α,11α-dimethyl-1,2,3,4,5,6-hexahydro-3-benzazocin (16603-67-1,16670-83-0,16670-84-1,16670-86-3,16671-00-4,16808-63-2,25144-77-8,25144-78-9,52079-30-8)

Guidance literature:

3-Benzyl-8-hydroxy-2,6-methano-6α,11α-dimethyl-1,2,3,4,5,6-hexahydro-3-benzazocin-hydrochlorid, H2, Pd/C;

Reference yield:

(+/-)-normetazocine (16603-67-1,16670-83-0,16670-84-1,16670-86-3,16671-00-4,16808-63-2,25144-77-8,25144-78-9,52079-30-8) → (+/-)-normetazocine (16808-63-2)

Guidance literature:

DOI:10.1021/jm00354a006

Reference yield:

→ (+/-)-normetazocine (16808-63-2)

Guidance literature:

Meth. A. Pentazocin Hydrochlorid (1), beim Erhizen in nicht-polaren Lsgsmitteln oder in der Schmelze;

upstream raw materials:

(+/-)-normetazocine

Downstream raw materials:

(+/-)-N-propargylnormetazocine

3-benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol; hydrobromide

(-)-Cyclazocine

(-)-N-Allyl-N-normetazocine

Refernces

Electrophilic γ-Lactone κ-Opioid Receptor Probes. Analogues of 2'-Hydroxy-2-tetrahydrofurfuryl-5,9-dimethyl-6,7-benzomorphan Diastereomers

10.1021/jm00112a019

The research involves the synthesis and study of electrophilic y-lactone analogues of benzomorphans as potential irreversible ligands for the K-opioid receptor. Key chemicals used in this research include normetazocine, enantiomers of 5-(iodomethyl)-y-butyrolactone, and various reagents for the synthesis of a-methylene y-lactones and endocyclic a,b-unsaturated y-lactones. The study found that while these y-lactones do not bind irreversibly, they show K-receptor selectivities comparable to reference compounds. The most potent compounds were those with the 2”s stereochemistry in the nitrogen substituent and a moderate degree of unsaturation in the furfuryl moiety. The research provides insights into the structure-activity relationships of these compounds and their potential as selective K-opioid receptor ligands.

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