Benzeneacetonitrile, 4-hydroxy-3-methoxy-alpha-(3-(methylamino)propyl)-alpha-(1-methylethyl)-

Base Information

• Chemical Name: Benzeneacetonitrile, 4-hydroxy-3-methoxy-alpha-(3-(methylamino)propyl)-alpha-(1-methylethyl)-
• CAS No.: 71539-08-7
• Molecular Formula: C₁₆H₂₄N₂O₂
• Molecular Weight: 276.379
• UNII: 8XRR2EZX43
• DSSTox Substance ID: DTXSID50893328
• Nikkaji Number: J466.583J
• Wikidata: Q27271170

Synonyms:D-717;PR 25;UNII-8XRR2EZX43;8XRR2EZX43;71539-08-7;Benzeneacetonitrile, 4-hydroxy-3-methoxy-alpha-(3-(methylamino)propyl)-alpha-(1-methylethyl)-;DTXSID50893328;Q27271170;2-(4-hydroxy-3-methoxyphenyl)-5-(methylamino)-2-(propan-2-yl)pentanenitrile;BENZENEACETONITRILE, 4-HYDROXY-3-METHOXY-.ALPHA.-(3-(METHYLAMINO)PROPYL)-.ALPHA.-(1-METHYLETHYL)-

Chemical Property of Benzeneacetonitrile, 4-hydroxy-3-methoxy-alpha-(3-(methylamino)propyl)-alpha-(1-methylethyl)-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 276.183778013
• Heavy Atom Count: 20
• Complexity: 337

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(CCCNC)(C#N)C1=CC(=C(C=C1)O)OC

Technology Process of Benzeneacetonitrile, 4-hydroxy-3-methoxy-alpha-(3-(methylamino)propyl)-alpha-(1-methylethyl)-

There total 1 articles about Benzeneacetonitrile, 4-hydroxy-3-methoxy-alpha-(3-(methylamino)propyl)-alpha-(1-methylethyl)- 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:

Verapamil (52-53-9,56949-77-0) → PR 25 (71539-08-7) + 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-methylamino-pentanenitrile (34245-14-2) + norverapamil (67018-85-3,73980-36-6,123931-31-7,123932-43-4)

Guidance literature:

With cytochrome P₄₅₀ BM₃ variant D₆H₁₀; at 37 ℃; for 1h; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1002/chem.200900643

upstream raw materials:

Verapamil

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