3-Phenoxy-3-phenylpropylamine

Base Information

• Chemical Name: 3-Phenoxy-3-phenylpropylamine
• CAS No.: 48166-95-6
• Molecular Formula: C₁₅H₁₇NO
• Molecular Weight: 227.306
• UNII: EE55YAQ6HN
• DSSTox Substance ID: DTXSID001032113
• Mol file: 48166-95-6.mol

Synonyms:EE55YAQ6HN;(3-Amino-1-phenoxypropyl)benzene;48166-95-6;UNII-EE55YAQ6HN;3-phenoxy-3-phenylpropylamine;gamma-Phenoxybenzenepropanamine;3-phenoxy-3-phenyl-propanamine;SCHEMBL1045800;XYWLZHPZECQHMB-UHFFFAOYSA-N;3-Phenoxy-3-phenyl-1-propanamine;Benzenepropanamine, gamma-phenoxy-;DTXSID001032113;.GAMMA.-PHENOXYBENZENEPROPANAMINE;BENZENEPROPANAMINE, .GAMMA.-PHENOXY-

Chemical Property of 3-Phenoxy-3-phenylpropylamine

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 227.131014166
• Heavy Atom Count: 17
• Complexity: 195

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CCN)OC2=CC=CC=C2

Technology Process of 3-Phenoxy-3-phenylpropylamine

There total 7 articles about 3-Phenoxy-3-phenylpropylamine 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: 58.0%

3-chloro-3-phenylpropylamine (745716-86-3) + phenol (108-95-2,27073-41-2) → 3-phenyl-3-phenoxypropylamine (48166-95-6)

Guidance literature:

for 0.15h; Microwave irradiation;

DOI:10.2174/157018011794578169

Reference yield:

1-phenyl-1-phenoxy-3-chloropropane (21763-01-9) → 3-phenyl-3-phenoxypropylamine (48166-95-6)

Guidance literature:

Reference yield:

3-chloropropiophenone (936-59-4) → 3-phenyl-3-phenoxypropylamine (48166-95-6)

Guidance literature:

Multi-step reaction with 5 steps

1.1: sodium tetrahydroborate / methanol / 0.67 h / 20 °C

2.1: sodium iodide / acetone / 12 h / Reflux

3.1: ammonia / tetrahydrofuran / 20 °C

4.1: thionyl chloride / chloroform / 5 h / 60 °C / Cooling

5.1: sodium hydroxide / ethanol / 0.5 h / Reflux

5.2: 4.5 h / Reflux

With sodium tetrahydroborate; thionyl chloride; ammonia; sodium iodide; sodium hydroxide; In tetrahydrofuran; methanol; ethanol; chloroform; acetone;

DOI:10.1002/cjoc.201190113

upstream raw materials:

1-phenyl-1-phenoxy-3-chloropropane

3-chloro-3-phenylpropylamine

phenol

3-chloropropiophenone

Downstream raw materials:

9,10-dihydro-9-oxo-N-(3-phenoxy-3-phenylpropyl)acridine-4-carboxamide