Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)propyl)-4-hydroxy-3-methoxy-alpha-(1-methylethyl)-

Base Information

• Chemical Name: Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)propyl)-4-hydroxy-3-methoxy-alpha-(1-methylethyl)-
• CAS No.: 71539-09-8
• Molecular Formula: C25H34 N2 O4
• Molecular Weight: 426.556
• UNII: 2FO843A756
• Nikkaji Number: J468.158D
• Wikidata: Q27254683
• Mol file: 71539-09-8.mol

Synonyms:PR-22;PR 22;UNII-2FO843A756;PR-22, (+/-)-;2FO843A756;71539-09-8;Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)propyl)-4-hydroxy-3-methoxy-alpha-(1-methylethyl)-;SCHEMBL10314225;Q27254683;BENZENEACETONITRILE, .ALPHA.-(3-((2-(3,4-DIMETHOXYPHENYL)ETHYL)AMINO)PROPYL)-4-HYDROXY-3-METHOXY-.ALPHA.-(1-METHYLETHYL)-

Chemical Property of Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)propyl)-4-hydroxy-3-methoxy-alpha-(1-methylethyl)-

Chemical Property:

• PSA: 83.74000
• LogP: 4.83878
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 426.25185757
• Heavy Atom Count: 31
• Complexity: 563

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(CCCNCCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)O)OC

Technology Process of Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)propyl)-4-hydroxy-3-methoxy-alpha-(1-methylethyl)-

There total 1 articles about Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)propyl)-4-hydroxy-3-methoxy-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) → C26H36N2O5 (1038742-04-9) + C27H38N2O5 (351009-37-5) + 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-methylamino-pentanenitrile (34245-14-2) + PR 22 (71539-09-8) + D 702

Guidance literature:

With cytochrome P₄₅₀ BM₃ chimera variant 22313233; at 37 ℃; for 1h; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1002/chem.200900643

upstream raw materials:

Verapamil