Anipamil

Base Information

• Chemical Name: Anipamil
• CAS No.: 83200-10-6
• Molecular Formula: C₃₄H₅₂N₂O₂
• Molecular Weight: 520.799
• European Community (EC) Number: 280-213-5
• UNII: 74AU98P8PI,9Y54WZV1CJ,0B09LAQ38G
• DSSTox Substance ID: DTXSID70868699
• Nikkaji Number: J33.399I
• Wikipedia: Anipamil
• Wikidata: Q4765248
• NCI Thesaurus Code: C76578
• ChEMBL ID: CHEMBL2104548
• Mol file: 83200-10-6.mol

Synonyms:anipamil

Chemical Property of Anipamil

Chemical Property:

• Vapor Pressure: 2.26E-16mmHg at 25°C
• Boiling Point: 641.9°Cat760mmHg
• Flash Point: 342°C
• PSA: 45.49000
• Density: 0.983g/cm³
• LogP: 8.73088
• XLogP3: 10.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 21
• Exact Mass: 520.40287891
• Heavy Atom Count: 38
• Complexity: 631

Purity/Quality:

95-99% ^*data from raw suppliers

Anipamil ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC(CCCN(C)CCC1=CC(=CC=C1)OC)(C#N)C2=CC(=CC=C2)OC
• Therapeutic Function: Coronary vasodilator, Antihypertensive

Technology Process of Anipamil

There total 5 articles about Anipamil 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: 80.0%

2-(3-methoxyphenyl)-N-methylethan-1-amine (33543-62-3) + C24H38BrNO → anapamil (83200-10-6)

Guidance literature:

With sodium carbonate; In acetonitrile; at 80 ℃; for 6h;

DOI:10.1021/acscatal.1c05271

Reference yield:

3-methoxyphenylacetonitrile (19924-43-7) → anapamil (83200-10-6)

Guidance literature:

Multi-step reaction with 4 steps

1: [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate / toluene / 4 h / 135 °C

2: [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium carbonate / toluene / 2 h / 75 °C

3: phosphorus tribromide / toluene / 2 h / 100 °C

4: sodium carbonate / acetonitrile / 6 h / 80 °C

With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; phosphorus tribromide; sodium carbonate; potassium carbonate; In toluene; acetonitrile;

DOI:10.1021/acscatal.1c05271

Reference yield:

1-dodecyl alcohol (112-53-8) → anapamil (83200-10-6)

Guidance literature:

Multi-step reaction with 4 steps

1: [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate / toluene / 4 h / 135 °C

2: [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium carbonate / toluene / 2 h / 75 °C

3: phosphorus tribromide / toluene / 2 h / 100 °C

4: sodium carbonate / acetonitrile / 6 h / 80 °C

With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; phosphorus tribromide; sodium carbonate; potassium carbonate; In toluene; acetonitrile;

DOI:10.1021/acscatal.1c05271

upstream raw materials:

3-methoxyphenylacetonitrile

1-dodecyl alcohol

2-(3-methoxyphenyl)-N-methylethan-1-amine

α-dodecyl-3-methoxybenzylcyanide

Refernces