Neopin

Base Information

• Chemical Name: Neopin
• CAS No.: 467-14-1
• Molecular Formula: C18H21 N O3
• Molecular Weight: 299.37
• DSSTox Substance ID: DTXSID70871648
• Wikidata: Q105182085
• Mol file: 467-14-1.mol

Synonyms:Neopin;NEOPINE, HYDROBROMIDE;beta-Codeine;.beta.-Codeine;Morphinan-6-ol, 8,14-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.,6.alpha.)-;b-Codeine;3-methoxy-17-methyl-8,14-didehydro-4,5-epoxymorphinan-6-ol;SCHEMBL679478;DTXSID70871648;Morphinan-6.alpha.-ol, 8,14-didehydro-4,5.alpha.-epoxy-3-methoxy-17-methyl-;NNDKZTBFZTWKLA-UHFFFAOYSA-N;FT-0774666;8,14-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol, 9CI;8,14-Didehydro-4,5.alpha.-epoxy-3-methoxy-17-methylmorphinan-6.alpha.-ol

Chemical Property of Neopin

Chemical Property:

• Vapor Pressure: 1.2E-09mmHg at 25°C
• Boiling Point: 470.3°C at 760 mmHg
• Flash Point: 238.2°C
• Density: 1.34g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 299.15214353
• Heavy Atom Count: 22
• Complexity: 521

Purity/Quality:

99% ,98%,Electron Grade , ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC23C4C(CC=C2C1CC5=C3C(=C(C=C5)OC)O4)O

Technology Process of Neopin

There total 30 articles about Neopin 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: 100.0%

(-)-6α,7α-Epoxy-6-deoxyneopine (35131-17-0) → Neopin (467-14-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; for 0.25h;

DOI:10.1002/recl.19931121103

Reference yield:

codeine (76-57-3) → (4R,7aR,12bS)-9-methoxy-3-methyl-2,3,4,6-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7(7aH)-one (509-66-0) + codeinone (467-13-0) + Neopin (467-14-1)

Guidance literature:

With NADP; In aq. buffer; at 30 ℃; for 10.6667h; pH=9; Reagent/catalyst; Enzymatic reaction;

Reference yield:

codeine (76-57-3) → Neopin (467-14-1)

Guidance literature:

With NADP; NADPH; In aq. buffer; at 30 ℃; for 10.6667h; pH=9; Enzymatic reaction;

upstream raw materials:

(4R,7aR,12bS)-9-methoxy-3-methyl-2,3,4,6-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7(7aH)-one

(+)-14β-bromocodeinone

(+)-14β-bromocodeine

4,5α-epoxy-3-methoxy-17-methyl-8α-(toluene-4-sulfonyloxy)-(14α)-morphinan-6α-ol

Downstream raw materials:

N-demethylapocodeine

apomorphine hydrochloride

3-O-benzyldemethoxyoripavine

3-O-benzyl-N-demethyldemethoxyoripavine

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