3-(4-(Trifluoromethyl)phenoxy)propan-1-amine hydrochloride

Base Information

• Chemical Name: 3-(4-(Trifluoromethyl)phenoxy)propan-1-amine hydrochloride
• CAS No.: 100840-63-9
• Molecular Formula: C10H13ClF3NO
• Molecular Weight: 255.668
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID00702017
• Mol file: 100840-63-9.mol

Synonyms:100840-63-9;3-(4-(TRIFLUOROMETHYL)PHENOXY)PROPAN-1-AMINE HYDROCHLORIDE;3-(4-(Trifluoromethyl)phenoxy)propan-1-amine, HCl;3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride;SCHEMBL1246238;DTXSID00702017;PVVRPXJDSVGEQT-UHFFFAOYSA-N;MFCD11036183;SB81371;BS-26341;3-(4-(TRIFLUOROMETHYL)PHENOXY)PROPAN-1-AMINEHYDROCHLORIDE;3-[4-(Trifluoromethyl)phenoxy]propan-1-amine--hydrogen chloride (1/1)

Chemical Property of 3-(4-(Trifluoromethyl)phenoxy)propan-1-amine hydrochloride

Chemical Property:

• PSA: 35.25000
• LogP: 3.93530
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 255.0637762
• Heavy Atom Count: 16
• Complexity: 176

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-(Trifluoromethyl)phenoxy)propan-1-amineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)OCCCN.Cl

Technology Process of 3-(4-(Trifluoromethyl)phenoxy)propan-1-amine hydrochloride

There total 2 articles about 3-(4-(Trifluoromethyl)phenoxy)propan-1-amine hydrochloride 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: 88.0%

2-[3-(4-Trifluoromethyl-phenoxy)-propyl]-isoindole-1,3-dione (100840-49-1) → 3-(4-(trifluoromethyl)phenoxy)propyl-1-amine hydrochloride (100840-63-9)

Guidance literature:

2-[3-(4-Trifluoromethyl-phenoxy)-propyl]-isoindole-1,3-dione; With hydrazine hydrate; In ethanol; for 4h; Reflux;

With hydrogenchloride; In 1,4-dioxane; for 0.166667h;

Reference yield:

4-hydroxybenzotrifluoride (402-45-9) → 3-(4-(trifluoromethyl)phenoxy)propyl-1-amine hydrochloride (100840-63-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / mineral oil; dimethyl sulfoxide / 2 h / 20 °C / Inert atmosphere

1.2: 16 h / 20 °C / Inert atmosphere

2.1: hydrazine hydrate / ethanol / 4 h / Reflux

2.2: 0.17 h

With sodium hydride; hydrazine hydrate; In ethanol; dimethyl sulfoxide; mineral oil;

Reference yield: 44.0%

(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid (37927-01-8) + 3-(4-(trifluoromethyl)phenoxy)propyl-1-amine hydrochloride (100840-63-9) → C31H37F4NO5

Guidance literature:

9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid; With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

3-(4-(trifluoromethyl)phenoxy)propyl-1-amine hydrochloride; With triethylamine; In N,N-dimethyl-formamide; at 50 - 70 ℃; Inert atmosphere;

upstream raw materials:

4-hydroxybenzotrifluoride

2-[3-(4-Trifluoromethyl-phenoxy)-propyl]-isoindole-1,3-dione

Downstream raw materials:

N'-[3-(4-trifluoromethylphenoxy)propyl]biguanide hydrochloride

Refernces