2-Iodo-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzyl Alcohol

Base Information

• Chemical Name: 2-Iodo-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzyl Alcohol
• CAS No.: 197968-46-0
• Molecular Formula: C9H6F3IN2O
• Molecular Weight: 342.059
• DSSTox Substance ID: DTXSID70458897
• Nikkaji Number: J662.297F
• Mol file: 197968-46-0.mol

Synonyms:197968-46-0;2-Iodo-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzyl Alcohol;[2-iodo-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol;Benzenemethanol, 2-iodo-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-;DTXSID70458897;RRDFFESOQHBLLK-UHFFFAOYSA-N;FT-0670398;EN300-21040242;2-Iodo-4-(3-trifluoromethyl-3H-diazirin-3-yl)benzyl alcohol;{2-Iodo-4-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenyl}methanol;{2-iodo-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}methanol

Chemical Property of 2-Iodo-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzyl Alcohol

Chemical Property:

• Boiling Point: 352.7±52.0 °C(Predicted)
• PKA: 13.85±0.10(Predicted)
• PSA: 44.95000
• Density: 2.08±0.1 g/cm3(Predicted)
• LogP: 1.83560
• Storage Temp.: Refrigerator
• Solubility.: Dichloromethane, Diethyl Ether, Methanol
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 341.94769
• Heavy Atom Count: 16
• Complexity: 302

Purity/Quality:

99%, ^*data from raw suppliers

2-Iodo-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzylAlcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2(N=N2)C(F)(F)F)I)CO
• Uses: 2-Iodo-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzyl Alcohol is an Intermediate in the preparation of photolabeling and cross-linking reagent. The photoactivatable chemical labels are used in proteins and small molecules through cross-linkage or site-directed photoaffinity labeling techniques Intermediate in the preparation of photolabeling and cross-linking reagent.

Technology Process of 2-Iodo-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzyl Alcohol

There total 1 articles about 2-Iodo-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzyl Alcohol 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:

3-[4-(hydroxymethyl)phenyl]-3-trifluoromethyl-3H-diazirine (87736-88-7) → [2-iodo-4-(3-trifluoromethyl-3H-diazirin-3-yl)phenyl]methanol (197968-46-0)

Guidance literature:

With thallium(III) trifluoromethanesulfonate; trifluoroacetic acid; sodium iodide; Yield given. Multistep reaction; 1.) 80 deg C, 2 h, 2.) RT, 45 min;

DOI:10.1021/ja00116a013

Reference yield: 84.0%

[2-iodo-4-(3-trifluoromethyl-3H-diazirin-3-yl)phenyl]methanol (197968-46-0) → 3-(3-Iodo-4-iodomethyl-phenyl)-3-trifluoromethyl-3H-diazirine (197968-45-9)

Guidance literature:

With methyl-triphenylphosphonium iodide; In acetonitrile; for 23h;

DOI:10.1021/ja9721677

Reference yield: 80.0%

[2-iodo-4-(3-trifluoromethyl-3H-diazirin-3-yl)phenyl]methanol (197968-46-0) → 2-iodo-[4-(3-trifluoromethyl)-3H-diazirin-3-yl]benzoic acid

Guidance literature:

With potassium hydroxide; potassium permanganate; In 1,4-dioxane; at 20 ℃; for 2.5h;

DOI:10.1002/1099-0690(200110)2001:20<3961::AID-EJOC3961>3.0.CO;2-R

upstream raw materials:

3-[4-(hydroxymethyl)phenyl]-3-trifluoromethyl-3H-diazirine

Downstream raw materials:

3-(3-Iodo-4-iodomethyl-phenyl)-3-trifluoromethyl-3H-diazirine

3-[4-(hydroxymethyl)phenyl]-3-trifluoromethyl-3H-diazirine

methanesulfonic acid 2-iodo-4-(3-trifluoromethyl-3H-diazirin-3-yl)-benzyl ester

[2-iodo-4-(3-trifluoromethyl)-3H-diazirin-3-yl]benzylphthalimide

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