(3-Amino-5-(trifluoromethyl)phenyl)methanol

Base Information

• Chemical Name: (3-Amino-5-(trifluoromethyl)phenyl)methanol
• CAS No.: 537039-44-4
• Molecular Formula: C8H8F3NO
• Molecular Weight: 191.153
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID401264893
• Mol file: 537039-44-4.mol

Synonyms:[3-amino-5-(trifluoromethyl)phenyl]methanol;537039-44-4;(3-AMINO-5-(TRIFLUOROMETHYL)PHENYL)METHANOL;SCHEMBL129085;UONWUJGPXCGHNL-UHFFFAOYSA-N;DTXSID401264893;AKOS006307808;AT16739;3-Amino-5-(trifluoromethyl)benzenemethanol;(3-amino-5-trifluoromethyl-phenyl)-methanol;CS-0378975;EN300-8088007;A1-35123

Chemical Property of (3-Amino-5-(trifluoromethyl)phenyl)methanol

Chemical Property:

• PSA: 46.25000
• LogP: 2.36110
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 191.05579836
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

(3-Amino-5-trifluoromethyl-phenyl)-methanol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)N)CO

Technology Process of (3-Amino-5-(trifluoromethyl)phenyl)methanol

There total 4 articles about (3-Amino-5-(trifluoromethyl)phenyl)methanol 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)phenyl)methanol (180146-66-1) → [3-amino-5-(trifluoromethyl)phenyl]methanol (537039-44-4)

Guidance literature:

[3-nitro-5-(trifluoromethyl)phenyl]methanol; With hydrogenchloride; tin(ll) chloride; In tetrahydrofuran; water; at 20 ℃; for 24h;

With sodium hydrogencarbonate; In tetrahydrofuran; water;

Reference yield: 100.0%

3-amino-5-trifluoromethylbenzoic acid methyl ester (22235-25-2) → [3-amino-5-(trifluoromethyl)phenyl]methanol (537039-44-4)

Guidance literature:

3-amino-5-trifluoromethylbenzoic acid methyl ester; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 2h;

With sodium sulfate; In tetrahydrofuran; diethyl ether;

Reference yield:

3-nitro-5-trifluoromethyl-benzoic acid (328-80-3) → [3-amino-5-(trifluoromethyl)phenyl]methanol (537039-44-4)

Guidance literature:

3-nitro-5-trifluoromethyl-benzoic acid; With borane-THF; In tetrahydrofuran;

With palladium on activated charcoal; hydrogen; In methanol;

DOI:10.1016/j.bmcl.2015.04.098

upstream raw materials:

3-amino-5-trifluoromethylbenzoic acid methyl ester

(3-nitro-5-(trifluoromethyl)phenyl)methanol

3-nitro-5-trifluoromethyl-benzoic acid

methyl 3-nitro-5-(trifluoromethyl)-benzoate

Downstream raw materials:

(3-dimethylamino-5-trifluoromethyl-phenyl)-methanol

1‐bromo‐3‐(bromomethyl)‐5‐(trifluoromethyl)benzene

tert-butyl 4-((3-bromo-5-(trifluoromethyl)benzyloxy)methyl)-4-phenylpiperidine-1-carboxylate

[3-iodo-5-(trifluoromethyl)phenyl]methanol

Refernces

• 1、 -. "UREA DERIVATIVE AND USE THEREFOR". Paragraph 0387. . Retrieved 2018/07/29.
• 2、 -. "AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS". Page/Page column 159; 160. . Retrieved 2008/06/13.