2-Amino-4-(trifluoromethoxy)phenol

Base Information

• Chemical Name: 2-Amino-4-(trifluoromethoxy)phenol
• CAS No.: 461699-34-3
• Molecular Formula: C7H6F3NO2
• Molecular Weight: 193.125
• Hs Code.: 2922290090
• European Community (EC) Number: 889-517-8
• DSSTox Substance ID: DTXSID90372228
• Wikidata: Q82159814
• Mol file: 461699-34-3.mol

Synonyms:2-amino-4-(trifluoromethoxy)phenol;461699-34-3;2-Amino-4-trifluoromethoxy-phenol;2-amino-4-trifluoromethoxyphenol;Phenol, 2-amino-4-(trifluoromethoxy)-;2-amino-4-trifluoromethoxy phenol;SCHEMBL1024889;DTXSID90372228;AMY28425;MFCD01862083;2-amino-4-(trifluoromethyloxy)phenol;AKOS006229594;PS-8325;2-amino-4-[(trifluoromethyl)oxy]phenol;CS-0099386;EN300-1697959;Z1741966857

Chemical Property of 2-Amino-4-(trifluoromethoxy)phenol

Chemical Property:

• PSA: 55.48000
• LogP: 2.45420
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 193.03506292
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

97%+ ^*data from raw suppliers

2-Amino-4-(trifluoromethoxy)phenol 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1OC(F)(F)F)N)O

Technology Process of 2-Amino-4-(trifluoromethoxy)phenol

There total 3 articles about 2-Amino-4-(trifluoromethoxy)phenol 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: 99.25%

2-nitro-4-(trifluoromethoxy)phenol (129644-56-0) → 5-trifluoromethoxy-2-hydroxyaniline (461699-34-3)

Guidance literature:

With 10 wt% Pd(OH)2 on carbon; hydrogen; In methanol; at 16 ℃; for 16h; under 2068.65 Torr;

Reference yield:

2-nitro-4-(trifluoromethoxy)phenol (129644-56-0) + trans-N2-(4-{4-Amino-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo [3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)benzo[b]furan-2-carboxamide P → 5-trifluoromethoxy-2-hydroxyaniline (461699-34-3)

Guidance literature:

With sodium thiosulfate; In ethanol; water;

Reference yield:

4-Trifluoromethoxyphenol (828-27-3) → 5-trifluoromethoxy-2-hydroxyaniline (461699-34-3)

Guidance literature:

Multi-step reaction with 2 steps

1: nitric acid; acetic acid / 5 h / 10 - 15 °C

2: hydrogen / 5% Pd(II)/C(eggshell) / ethyl acetate / 1.7 h / 20 °C / 760.05 Torr

With hydrogen; nitric acid; acetic acid; 5% Pd(II)/C(eggshell); In ethyl acetate;

upstream raw materials:

2-nitro-4-(trifluoromethoxy)phenol

4-Trifluoromethoxyphenol

Refernces

• 1、 Macdonald, Jonathan D.,Chacón Simon, Selena,Han, Changho,Wang, Feng,Shaw, J. Grace,Howes, Jennifer E.,Sai, Jiqing,Yuh, Joannes P.,Camper, Demarco,Alicie, Bethany M.,Alvarado, Joseph,Nikhar, Sameer,Payne, William,Aho, Erin R.,Bauer, Joshua A.,Zhao, Bin,Phan, Jason,Thomas, Lance R.,Rossanese, Olivia W.,Tansey, William P.,Waterson, Alex G.,Stauffer, Shaun R.,Fesik, Stephen W.. "Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction". . p. 11232 - 11259. Retrieved 2019/12/25.
• 2、 -. "INHIBITORS OF HIF PROLYL HYDROXYLASE". Page/Page column 166. . Retrieved 2016/04/20.