Phenomorphan

Base Information

• Chemical Name: Phenomorphan
• CAS No.: 468-07-5
• Molecular Formula: C24H29NO
• Molecular Weight: 347.5
• European Community (EC) Number: 207-403-2
• UNII: 26HXE4B73P
• DSSTox Substance ID: DTXSID70878657
• Wikipedia: Phenomorphan
• Wikidata: Q7181393
• NCI Thesaurus Code: C166547
• ChEMBL ID: CHEMBL2105429
• Mol file: 468-07-5.mol

Synonyms:Phenomorphan;NIH 7274;468-07-5;Fenomorfano;Phenomorphane;Phenomorphanum;Fenomorfano [INN-Spanish];Phenomorphane [INN-French];Phenomorphanum [INN-Latin];3-HYDROXY-N-PHENETHYLMORPHINAN;Phenomorphan [INN:BAN:DCF];MCL 112;Morphinan, 3-hydroxy-N-phenethyl-;EINECS 207-403-2;UNII-26HXE4B73P;26HXE4B73P;IDS-NP-009;DEA No. 9647;Morphinan-3-ol, 17-phenethyl-, (-)-;2H-10,4a-Iminoethanophenanthren-6-ol, 1,3,4,9,10,10a,hexahydro-11-phenethyl-;17-(2-Phenylethyl)morphinan-3-ol;Morphinan-3-ol, 17-(2-phenylethyl)-;PHENOMORPHAN [MI];PHENOMORPHAN [INN];SCHEMBL79352;Phenomorphan [BAN:DCF:INN];C24H29NO;CHEMBL2105429;DTXSID70878657;3-hydroxy-N-(2-phenylethyl)morphinan;LS-92054;Q7181393;2H-10,4A-IMINOETHANOPHENANTHREN-6-OL, 1,3,4,9,10,10A-HEXAHYDRO-11-PHENETHYL-

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Phenomorphan

Chemical Property:

• Vapor Pressure: 3.13E-11mmHg at 25°C
• Melting Point: 243-245°
• Boiling Point: 515.1°Cat760mmHg
• PKA: pKa 7.30(50% aq EtOH) (Uncertain)
• Flash Point: 260.6°C
• PSA: 23.47000
• Density: 1.18g/cm³
• LogP: 4.63120
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 347.224914549
• Heavy Atom Count: 26
• Complexity: 487

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC23CCN(C(C2C1)CC4=C3C=C(C=C4)O)CCC5=CC=CC=C5
• Isomeric SMILES: C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCC5=CC=CC=C5
• Uses: Controlled substance (opiate).

Technology Process of Phenomorphan

There total 9 articles about Phenomorphan 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:

C24H27NO2 → MCL-112 (468-07-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/S0960-894X(01)00543-1

Reference yield:

phenylacetyl chloride (103-80-0) → MCL-112 (468-07-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂ / 0 - 20 °C

2: LiAlH₄ / tetrahydrofuran / 20 °C

With lithium aluminium tetrahydride; triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1016/S0960-894X(01)00543-1

Reference yield:

norlevorphanol (1531-12-0) → MCL-112 (468-07-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂ / 0 - 20 °C

2: LiAlH₄ / tetrahydrofuran / 20 °C

With lithium aluminium tetrahydride; triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1016/S0960-894X(01)00543-1

upstream raw materials:

4-((R)-2-phenethyl-1,2,3,4,5,6,7,8-octahydro-[1]isoquinolylmethyl)-phenol; hydrogenoxalate

phenylacetyl chloride

norlevorphanol

Levorphanol

Downstream raw materials:

C₃₁H₃₃NOS

C₂₇H₃₄N₂OS

C₂₇H₃₄N₂OS

3-methoxy-17-phenethyl-morphinane

Refernces