Phenanthrene, 2-(iodomethyl)-

Base Information

• Chemical Name: Phenanthrene, 2-(iodomethyl)-
• CAS No.: 850080-43-2
• Molecular Formula: C₁₅H₁₁I
• Molecular Weight: 318.157
• DSSTox Substance ID: DTXSID10467049
• Wikidata: Q82293817
• Mol file: 850080-43-2.mol

Synonyms:Phenanthrene, 2-(iodomethyl)-;850080-43-2;DTXSID10467049;AKOS015963917

Chemical Property of Phenanthrene, 2-(iodomethyl)-

Chemical Property:

• Boiling Point: 431.1 °C at 760 mmHg
• Flash Point: 225 °C
• Density: 1.65 g/cm³
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 317.99055
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)CI

Technology Process of Phenanthrene, 2-(iodomethyl)-

There total 2 articles about Phenanthrene, 2-(iodomethyl)- 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: 94.0%

2-phenanthrylmethanol (2606-54-4) → 2-(iodomethyl)phenanthrene (850080-43-2)

Guidance literature:

With boron trifluoride diethyl etherate; potassium iodide; In 1,4-dioxane; at 20 ℃; for 12h;

DOI:10.1021/jm0492498

Reference yield:

phenanthrene-2-carboxylic acid (40452-20-8) → 2-(iodomethyl)phenanthrene (850080-43-2)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / tetrahydrofuran

2: 94 percent / KI; BF₃*Et₂O / dioxane / 12 h / 20 °C

With lithium aluminium tetrahydride; boron trifluoride diethyl etherate; potassium iodide; In tetrahydrofuran; 1,4-dioxane;

DOI:10.1021/jm0492498

upstream raw materials:

2-phenanthrylmethanol

phenanthrene-2-carboxylic acid

Refernces