10-Ketonaltrexone

Base Information

• Chemical Name: 10-Ketonaltrexone
• CAS No.: 96445-14-6
• Molecular Formula: C₂₀H₂₁NO₅
• Molecular Weight: 355.39
• European Community (EC) Number: 804-569-3
• UNII: BFV7ALA2A9
• DSSTox Substance ID: DTXSID30914505
• Wikidata: Q76309594
• Mol file: 96445-14-6.mol

Synonyms:10-ketonaltrexone

Chemical Property of 10-Ketonaltrexone

Chemical Property:

• Vapor Pressure: 6.31E-17mmHg at 25°C
• Melting Point: 160-165°C
• Boiling Point: 633.6°Cat760mmHg
• Flash Point: 337°C
• PSA: 87.07000
• Density: 1.56g/cm³
• LogP: 1.10350
• Storage Temp.: -20°C Freezer
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 355.14197277
• Heavy Atom Count: 26
• Complexity: 692

Purity/Quality:

99.0% Min ^*data from raw suppliers

10-Ketonaltrexone solution 100?μg/mL in methanol, ampule of 1?mL, certified reference material, Cerilliant? ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1CN2CCC34C5C(=O)CCC3(C2C(=O)C6=C4C(=C(C=C6)O)O5)O
• Isomeric SMILES: C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2C(=O)C6=C4C(=C(C=C6)O)O5)O
• Uses: Naltrexone

Technology Process of 10-Ketonaltrexone

There total 3 articles about 10-Ketonaltrexone 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: 38.0%

17-(cyclopropylmethyl)-4,5α-epoxy-14β-hydroxy-3-methoxymorphinan-6,10-dione (96445-13-5) → 10-Ketonaltrexone (96445-14-6)

Guidance literature:

With boron tribromide; In chloroform; for 43h; Ambient temperature;

DOI:10.1021/jm00145a024

Reference yield:

naltrexone methyl ether (16617-07-5) → 10-Ketonaltrexone (96445-14-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 4.6 percent / CrO₃, conc. H₂SO₄ / 28 h / 25 °C

2: 9.2 mg / CrO₃-DMP complex / CH₂Cl₂ / 0.25 h

3: 38 percent / BBr₃ / CHCl₃ / 43 h / Ambient temperature

With chromium(VI) oxide; CrO₃-DMP; sulfuric acid; boron tribromide; In dichloromethane; chloroform;

DOI:10.1021/jm00145a024

Reference yield:

10-hydroxynaltrexone 3-methyl ether (96445-12-4) → 10-Ketonaltrexone (96445-14-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 9.2 mg / CrO₃-DMP complex / CH₂Cl₂ / 0.25 h

2: 38 percent / BBr₃ / CHCl₃ / 43 h / Ambient temperature

With CrO₃-DMP; boron tribromide; In dichloromethane; chloroform;

DOI:10.1021/jm00145a024

upstream raw materials:

17-(cyclopropylmethyl)-4,5α-epoxy-14β-hydroxy-3-methoxymorphinan-6,10-dione

naltrexone methyl ether

10-hydroxynaltrexone 3-methyl ether