4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzyl Alcohol

Base Information

• Chemical Name: 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzyl Alcohol
• CAS No.: 87736-88-7
• Molecular Formula: C9H7F3N2O
• Molecular Weight: 216.163
• European Community (EC) Number: 805-909-3
• UNII: BVF7RFE6SA
• ChEMBL ID: CHEMBL4741515
• DSSTox Substance ID: DTXSID60463733
• Nikkaji Number: J662.296H
• Mol file: 87736-88-7.mol

Synonyms:87736-88-7;4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzyl Alcohol;[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol;Benzenemethanol, 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-;(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenyl)methanol;CHEMBL4741515;MFCD19442582;{4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}methanol;[4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]phenyl]methanol;BVF7RFE6SA;SCHEMBL992639;4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzylAlcohol;4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]-benzenemethanol;DTXSID60463733;BDBM50551940;AKOS025402683;AS-69590;SY056464;CS-0008638;FT-0675534;T2818;EN300-6475249;{4-[3-(Trifluoromethyl)-3H-diaziren-3-yl]phenyl}methanol;4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzenemethanol;3-[4-(Hydroxymethyl)phenyl]-3-(trifluoromethyl)-3H-diazirine

Chemical Property of 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzyl Alcohol

Chemical Property:

• Refractive Index: 1.4770 to 1.4810
• PSA: 44.95000
• LogP: 1.23100
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: Dichloromethane, Diethyl Ether, Methanol
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 216.05104734
• Heavy Atom Count: 15
• Complexity: 263

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzyl Alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CO)C2(N=N2)C(F)(F)F
• Uses: 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzyl Alcohol is a photoaffinity reagent. Photo-induced crosslinking reagent. Photoaffinity reagent. Photo-induced crosslinking reagent.

Technology Process of 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzyl Alcohol

There total 25 articles about 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: 100.0%

4-<3-trifluoromethyl-3H-diazirin-3-yl>benzaldehyde (128886-88-4) → 3-[4-(hydroxymethyl)phenyl]-3-trifluoromethyl-3H-diazirine (87736-88-7)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 4h;

DOI:10.1021/ja066479y

Reference yield: 92.0%

3-<4-<(tert-butyldimethylsiloxy)methyl>phenyl>-3-trifluoromethyl-3H-diazirine (87736-86-5) → 3-[4-(hydroxymethyl)phenyl]-3-trifluoromethyl-3H-diazirine (87736-88-7)

Guidance literature:

With hydrogenchloride; In methanol;

Reference yield: 86.0%

3-<(4-tert-butoxymethyl)phenyl>-3-trifluoromethyl-3H-diazirine (87736-87-6) → 3-[4-(hydroxymethyl)phenyl]-3-trifluoromethyl-3H-diazirine (87736-88-7)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; for 2h; Ambient temperature;

upstream raw materials:

3-<(4-tert-butoxymethyl)phenyl>-3-trifluoromethyl-3H-diazirine

3-<4-<(tert-butyldimethylsiloxy)methyl>phenyl>-3-trifluoromethyl-3H-diazirine

4-(3-Trifluoromethyl-3H-diazirin-3-yl)-benzoyl fluoride

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

Downstream raw materials:

5-{1-[4-(3-trifluoromethyl-3H-diazirin-3-yl)-benzyl]-1H-indazol-3-yl}-furan-2-carboxylic acid methyl ester

3-trifluoromethyl-3-[p-(2',3',4',6'-tetra-O-acetyl-α-D-mannopyranosyloxymethyl)phenyl]diazirine

3-(α-iodo-p-tolyl)-3-(trifluoromethyl)-3H-diazirine

1-O-[4-(3-trifluoromethyl-3H-diazirin-3-yl)benzyl]-β-D-ribofuranose

Refernces

• 1、 -. "SMALL MOLECULE MODULATORS OF PCSK9 AND METHODS OF USE THEREOF". Paragraph 0372. . Retrieved 2016/02/22.
• 2、 -. "NOVEL N-BENZYLAMIDE SUBSTITUTED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACYLAMIDO)PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS". Page/Page column 62; 64. . Retrieved 2009/12/27.