3-(3-Chlorophenoxy)propylamine

Base Information

• Chemical Name: 3-(3-Chlorophenoxy)propylamine
• CAS No.: 116753-50-5
• Molecular Formula: C₉H₁₂ClNO
• Molecular Weight: 185.653
• Hs Code.: 2922498590
• DSSTox Substance ID: DTXSID80440309
• Wikidata: Q82256586
• Mol file: 116753-50-5.mol

Synonyms:3-(3-Chlorophenoxy)propylamine;116753-50-5;3-(3-chlorophenoxy)propan-1-amine;[3-(3-Chlorophenoxy)propyl]amine;MFCD06800437;3-(3-Chlorophenoxy)propan-1-amine HCl;3-(3-chlorophenoxy)propan-1-aminehydrochloride;1-Propanamine, 3-(3-chlorophenoxy)-;SCHEMBL6846799;SCHEMBL6852942;3-(3-chlorophenoxy)-propylamine;DTXSID80440309;KZQPDVZJHZMSKO-UHFFFAOYSA-N;AKOS000195223;PS-5520;SY008299;BB 0220211;CS-0441654;FT-0701969;F21043;3-(3-Chlorophenoxy)-1-propanamine, AldrichCPR;EN300-1985925;A893506

Chemical Property of 3-(3-Chlorophenoxy)propylamine

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Boiling Point: 290.472°C at 760 mmHg
• PKA: 9.51±0.10(Predicted)
• Flash Point: 129.473°C
• PSA: 35.25000
• Density: 1.145g/cm³
• LogP: 2.76790
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 185.0607417
• Heavy Atom Count: 12
• Complexity: 121

Purity/Quality:

97% ^*data from raw suppliers

3-(3-Chlorophenoxy)propylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)OCCCN

Technology Process of 3-(3-Chlorophenoxy)propylamine

There total 1 articles about 3-(3-Chlorophenoxy)propylamine 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:

2-(3-bromopropyl)isoindole-1,3-dione (5460-29-7) + 3-monochlorophenol (108-43-0) → 3-(3-chlorophenoxy)propylamine (116753-50-5)

Guidance literature:

Reference yield:

3-(3-chlorophenoxy)propylamine (116753-50-5) → 5-{[3-(3-Amino-phenoxy)-propyl]-methyl-amino}-2-isopropyl-2-(3,4,5-trimethoxy-phenyl)-pentanenitrile (103545-53-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 2.) NaBH₄ / 1.) EtOH, 1.5 h, reflux, 2.) EtOH, ice water, 1 h, room temp.

2: 35 percent / HCOOH / H₂O / 1 h / 90 - 100 °C

3: 92 percent / hydrogen / PtO₂ / methanol / Ambient temperature

With sodium tetrahydroborate; formic acid; hydrogen; platinum(IV) oxide; In methanol; water;

DOI:10.1248/cpb.36.373

Reference yield:

3-(3-chlorophenoxy)propylamine (116753-50-5) + 4,5,6,7-tetrahydro-1H-benzimidazole-5-carboxylic acid (26751-24-6) → 4,5,6,7-Tetrahydro-1 H-benzimidazole-5-carboxylic acid [3-(3-chlorophenoxy)-propyl]amide, hydrochloride (361395-07-5)

Guidance literature:

upstream raw materials:

2-(3-bromopropyl)isoindole-1,3-dione

3-monochlorophenol

Downstream raw materials:

5-[3-(3-Chloro-phenoxy)-propylamino]-2-isopropyl-2-(3,4,5-trimethoxy-phenyl)-pentanenitrile

5-{[3-(3-Amino-phenoxy)-propyl]-methyl-amino}-2-isopropyl-2-(3,4,5-trimethoxy-phenyl)-pentanenitrile

5-{[3-(3-Chloro-phenoxy)-propyl]-methyl-amino}-2-isopropyl-2-(3,4,5-trimethoxy-phenyl)-pentanenitrile

2-Isopropyl-5-{methyl-[3-(3-nitro-phenoxy)-propyl]-amino}-2-(3,4,5-trimethoxy-phenyl)-pentanenitrile