3-Amino-5-(trifluoromethyl)phenol

Base Information

• Chemical Name: 3-Amino-5-(trifluoromethyl)phenol
• CAS No.: 401-86-5
• Molecular Formula: C₇H₆F₃NO
• Molecular Weight: 177.126
• European Community (EC) Number: 848-378-3
• Nikkaji Number: J3.609.248C
• Mol file: 401-86-5.mol

Synonyms:3-AMINO-5-(TRIFLUOROMETHYL)PHENOL;401-86-5;3-HYDROXY-5-(TRIFLUOROMETHYL)ANILINE;SCHEMBL1265058;3-Amino-5-trifluoromethylphenol;3-Amino-5-trifluoromethyl-phenol;AKOS006309117;MB09041;EN300-179006;G10581

Chemical Property of 3-Amino-5-(trifluoromethyl)phenol

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 177.04014830
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C=C1N)O)C(F)(F)F

Technology Process of 3-Amino-5-(trifluoromethyl)phenol

There total 5 articles about 3-Amino-5-(trifluoromethyl)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: 100.0%

3-nitro-5-(trifluoromethyl)phenol (349-57-5) → 3-amino-5-(1,1,1-trilfluoromethyl)phenol (401-86-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; Inert atmosphere;

DOI:10.1021/acs.jmedchem.9b01201

Reference yield: 100.0%

5-(trifluoromethyl)-m-anisidine (349-55-3) → 3-amino-5-(1,1,1-trilfluoromethyl)phenol (401-86-5)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃; for 18h; Molecular sieve; Inert atmosphere;

DOI:10.1002/cmdc.201900376

Reference yield: 100.0%

→ 3-amino-5-(1,1,1-trilfluoromethyl)phenol (401-86-5)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃; for 18h; Molecular sieve; Inert atmosphere; Sealed tube;

upstream raw materials:

5-(trifluoromethyl)-m-anisidine

3-nitro-5-(trifluoromethyl)phenol

3,5-dinitrobenzotrifluoride

1-methoxy-3-nitro-5-trifluoromethyl-benzene

Downstream raw materials:

5-(trifluoromethyl)phenyl-1,3-diol

2-amino-6-hydroxy-4-trifluoromethyl-benzoic acid

2,4-dihydroxy-6-trifluoromethyl-benzaldehyde

1,3-bis-(4-nitro-benzoyloxy)-5-trifluoromethyl-benzene