CID 16219629

Base Information

• Chemical Name: CID 16219629
• CAS No.: 36397-14-5
• Molecular Formula: C17H21NO.ClH
• Molecular Weight: 293.837
• European Community (EC) Number: 609-240-6
• ChEMBL ID: CHEMBL1598831
• Mol file: 36397-14-5.mol

Synonyms:36397-14-5;MLS002153294;CHEMBL1598831;SMR000326856;3-Methoxymorphinan hydrochloride(nor-de xtromethorphan;(1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene;hydrochloride

Chemical Property of CID 16219629

Chemical Property:

• PSA: 21.26000
• LogP: 3.94800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 291.1389920
• Heavy Atom Count: 20
• Complexity: 380

Purity/Quality:

99%min ^*data from raw suppliers

3-METHOXYMORPHIANAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(CC3C4C2(CCC=C4)CCN3)C=C1.Cl
• Isomeric SMILES: COC1=CC2=C(C[C@@H]3[C@H]4[C@@]2(CCC=C4)CCN3)C=C1.Cl

Technology Process of CID 16219629

There total 1 articles about CID 16219629 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: 90.0%

dextromethorphan hydrobromide → (+)-3-methoxymorphinan hydrochloride (36397-14-5,1087-69-0)

Guidance literature:

With ammonium hydroxide; carbonochloridic acid 1-chloro-ethyl ester; potassium carbonate; In 1,2-dichloro-ethane; for 6h; Heating;

DOI:10.1021/jm00100a019

Reference yield: 64.0%

(+)-3-methoxymorphinan hydrochloride (36397-14-5,1087-69-0) + 4-Fluorobenzyl bromide (459-46-1) → (+)-3-methoxy-17-(4-fluorobenzyl)morphinan hydrobromide

Guidance literature:

With hydrogen bromide; triethylamine; In tetrahydrofuran; dichloromethane; water;

Reference yield:

(+)-3-methoxymorphinan hydrochloride (36397-14-5,1087-69-0) + formic acid ethyl ester (109-94-4) → (+)-3-methoxy-N-formylmorphinan (28973-48-0)

Guidance literature:

With ammonium hydroxide; formic acid; Yield given; Heating;

DOI:10.1021/jm00100a019

Downstream raw materials:

(+)-3-methoxy-N-formylmorphinan

Refernces