Aprofene

Base Information

• Chemical Name: Aprofene
• CAS No.: 3563-01-7
• Molecular Formula: C21H27 N O2
• Molecular Weight: 325.451
• Hs Code.: 2922199090
• UNII: PL791XXJ7B
• DSSTox Substance ID: DTXSID8046294
• Nikkaji Number: J8.142F
• Wikidata: Q4068249
• NCI Thesaurus Code: C73106
• Pharos Ligand ID: SNVMFCMKR5QY
• ChEMBL ID: CHEMBL26505
• Mol file: 3563-01-7.mol

Synonyms:2,2-diphenylpropanoic acid N,N-diethylaminoethyl ester;aprofen;aprofen hydrochloride;aprophen

Chemical Property of Aprofene

Chemical Property:

• Vapor Pressure: 9.24E-08mmHg at 25°C
• Boiling Point: 434.8°Cat760mmHg
• Flash Point: 132.5°C
• PSA: 29.54000
• Density: 1.041g/cm³
• LogP: 3.87760
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 325.204179104
• Heavy Atom Count: 24
• Complexity: 348

Purity/Quality:

95% ^*data from raw suppliers

APROPHEN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCOC(=O)C(C)(C1=CC=CC=C1)C2=CC=CC=C2
• Therapeutic Function: Spasmolytic

Technology Process of Aprofene

There total 12 articles about Aprofene 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: 69.0%

2,2-diphenylpropanoic acid (5558-66-7) + diethylamine (109-89-7) → aprophen (3563-01-7)

Guidance literature:

With sodium carbonate; In 1,2-dichloro-ethane; at 80 ℃; for 48h;

DOI:10.1002/chem.201905812

Reference yield:

Diphenylacetonitrile (86-29-3) → aprophen (3563-01-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 1.) sodamide / 1.) benzene, reflux, 2 h, 2.) benzene, reflux, 2 h

2: 61 percent / 70percent aq.H₂SO₄ / 48 h / 150 °C

3: SOCl₂ / 1 h / Heating

4: benzene / 20 h / Heating

With thionyl chloride; sulfuric acid; sodium amide; In benzene;

DOI:10.1021/jm00385a008

Reference yield:

2,2-diphenylpropanal (22875-82-7) → aprophen (3563-01-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 65 percent / KMnO₄, NaHCO₃ / H₂O / Heating

2: SOCl₂ / 1 h / Heating

3: benzene / 20 h / Heating

With potassium permanganate; thionyl chloride; sodium hydrogencarbonate; In water; benzene;

DOI:10.1021/jm00385a008

upstream raw materials:

2,2-diphenylpropanoic acid

2-(diethylamino)ethyl chloride

2,2-diphenylpropionyl chloride

2-(Diethylamino)ethanol