3-(4-Fluorophenoxy)propan-1-amine

Base Information

• Chemical Name: 3-(4-Fluorophenoxy)propan-1-amine
• CAS No.: 116753-54-9
• Molecular Formula: C9H12 F N O
• Molecular Weight: 169.199
• Hs Code.: 2922299090
• European Community (EC) Number: 865-454-1
• ChEMBL ID: CHEMBL82565
• DSSTox Substance ID: DTXSID40554532
• Nikkaji Number: J557.678D
• Wikidata: Q82435574
• Mol file: 116753-54-9.mol

Synonyms:116753-54-9;3-(4-FLUOROPHENOXY)PROPAN-1-AMINE;3-(4-Fluorophenoxy)propylamine;1-Propanamine, 3-(4-fluorophenoxy)-;[3-(4-FLUOROPHENOXY)PROPYL]AMINE;CHEMBL82565;MFCD06213776;1-(3-aminopropoxy)-4-fluorobenzene;3-(4-fluorophenoxy)-1-Propanamine;SCHEMBL1010758;DTXSID40554532;ZIBPUVKKZJRDHB-UHFFFAOYSA-N;3-(4-Fluoro-phenoxy)-propylamine;BDBM50044451;AKOS000123857;AS-31609;SY008292;CS-0204976;EN300-59449;3-(4-Fluorophenoxy)-1-propanamine, AldrichCPR;J-503098;Z271006096

Chemical Property of 3-(4-Fluorophenoxy)propan-1-amine

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Refractive Index: 1.504
• Boiling Point: 269.149°C at 760 mmHg
• PKA: 10.71±0.10(Predicted)
• Flash Point: 116.577°C
• PSA: 35.25000
• Density: 1.096g/cm³
• LogP: 2.25360
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 169.090292168
• Heavy Atom Count: 12
• Complexity: 113

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-Fluorophenoxy)propan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCCCN)F
• Uses: 3-(4-Fluorophenoxy)propan-1-amine is a reagent used in the synthesis of 6-aryl-1,6-dihydro-1,3,5-triazine-2,4-diamines as antiplasmodial antifolates against both drug sensitive and drug resistant strains of P. falciparum.

Technology Process of 3-(4-Fluorophenoxy)propan-1-amine

There total 4 articles about 3-(4-Fluorophenoxy)propan-1-amine 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: 93.0%

2-[3-(4-fluorophenoxy)propyl]-1H-isoindole-1,3(2H)-dione (253443-45-7) → 3-(4-fluorophenoxy)propan-1-amine (116753-54-9)

Guidance literature:

With hydrazine hydrate; In ethanol; for 3h; Heating;

DOI:10.1021/jm00069a010

Reference yield:

1-(3-chloropropoxy)-4-fluorobenzene (1716-42-3) → 3-(4-fluorophenoxy)propan-1-amine (116753-54-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 3.4 g / dimethylformamide / 18 h / 80 °C

2: 93 percent / 85percent hydrazine hydrate / ethanol / 3 h / Heating

With hydrazine hydrate; In ethanol; N,N-dimethyl-formamide;

DOI:10.1021/jm00069a010

Reference yield:

4-Fluorophenol (371-41-5) → 3-(4-fluorophenoxy)propan-1-amine (116753-54-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Triton B / acetonitrile

2: BH₃*THF / tetrahydrofuran

With borane-THF; N-benzyl-trimethylammonium hydroxide; In tetrahydrofuran; acetonitrile;

DOI:10.1016/j.bmcl.2007.05.066

upstream raw materials:

2-[3-(4-fluorophenoxy)propyl]-1H-isoindole-1,3(2H)-dione

3-(4-fluoro-phenoxy)propionitrile

4-Fluorophenol

1-(3-chloropropoxy)-4-fluorobenzene

Downstream raw materials:

1-(3-(4-fluorophenoxy)propyl)-3-(4-chlorophenyl)guanidine

1-(3-(4-fluorophenoxy)propyl)-6-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride

(Z)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-N-(3-(4-fluorophenoxy)propyl)acetamide

N-(3-(4-fluorophenoxy)propyl)-4-hydroxy-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide

Refernces

• 1、 -. "AMIDOPROPOXYPHENYL OREXIN RECEPTOR ANTAGONISTS". Page/Page column 30-31. . Retrieved 2008/06/13.