2-Fmpnqe

Base Information

• Chemical Name: 2-Fmpnqe
• CAS No.: 122408-83-7
• Molecular Formula: C₃₁H₄₅FO₃
• Molecular Weight: 484.695
• Nikkaji Number: J323.439H
• ChEMBL ID: CHEMBL51260
• Mol file: 122408-83-7.mol

Synonyms:2-(fluoromethyl)-3-(phytyl)-1,4-naphthoquione 2,3-epoxide;2-FMPNQE

Chemical Property of 2-Fmpnqe

Chemical Property:

• Vapor Pressure: 3.8E-13mmHg at 25°C
• Boiling Point: 573.2°Cat760mmHg
• Flash Point: 289.3°C
• PSA: 46.67000
• Density: 1.043g/cm³
• LogP: 8.31840
• XLogP3: 10.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 15
• Exact Mass: 484.33527346
• Heavy Atom Count: 35
• Complexity: 758

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)CCCC(C)CCCC(=CCC12C(=O)C3=CC=CC=C3C(=O)C1(O2)CF)C
• Isomeric SMILES: CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC12C(=O)C3=CC=CC=C3C(=O)C1(O2)CF)/C

Technology Process of 2-Fmpnqe

There total 8 articles about 2-Fmpnqe 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: 60.0%

2-hydroxymethyl-3-phytyl-1,4-naphthoquinone-2,3-epoxide (127184-29-6) → 2-fluoromethyl-3-phytyl-1,4-naphthoquinone 2,3-epoxide (122408-83-7)

Guidance literature:

With diethylamino-sulfur trifluoride; In dichloromethane; for 1.5h; Ambient temperature;

Reference yield: 2.0%

2-(fluoromethyl)-3-phytyl-1,4-naphthoquinone → 2-fluoromethyl-3-phytyl-1,4-naphthoquinone 2,3-epoxide (122408-83-7)

Guidance literature:

With dihydrogen peroxide; sodium carbonate; In ethanol; water; at 70 ℃; for 0.333333h;

DOI:10.1021/jm00129a019

Reference yield:

2-bromo-3-methyl-1,4-dimethoxynaphthalene (53772-33-1) → 2-fluoromethyl-3-phytyl-1,4-naphthoquinone 2,3-epoxide (122408-83-7)

Guidance literature:

Multi-step reaction with 5 steps

1: bromosuccinimide, benzoyl peroxide / CCl₄ / 2 h / Heating

2: AgF / acetonitrile / Ambient temperature

4: silver oxide, 6.2 N HNO₃ / dioxane; H₂O / 0.5 h

5: 2 percent / 30percent H₂O₂, Na₂CO₃ / ethanol; H₂O / 0.33 h / 70 °C

With N-Bromosuccinimide; Perbenzoic acid; dihydrogen peroxide; nitric acid; silver fluoride; sodium carbonate; silver(l) oxide; In 1,4-dioxane; tetrachloromethane; ethanol; water; acetonitrile;

DOI:10.1021/jm00129a019

upstream raw materials:

2-hydroxymethyl-3-phytyl-1,4-naphthoquinone-2,3-epoxide

2-bromo-3-methyl-1,4-dimethoxynaphthalene

2-bromo-3-(2-bromomethyl)-1,4-dimethoxynaphthalene

2-bromo-3-(fluoromethyl)-1,4-dimethoxy-naphthalene