1-Benzoyl-4-methylpyrrolidine-2-carbaldehyde

Base Information

• Chemical Name: 1-Benzoyl-4-methylpyrrolidine-2-carbaldehyde
• CAS No.: 115859-57-9
• Molecular Formula: C13H15NO2
• Molecular Weight: 217.268
• DSSTox Substance ID: DTXSID70577173
• Mol file: 115859-57-9.mol

Synonyms:1-benzoyl-4-methylpyrrolidine-2-carbaldehyde;115859-57-9;DTXSID70577173

Chemical Property of 1-Benzoyl-4-methylpyrrolidine-2-carbaldehyde

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 217.110278721
• Heavy Atom Count: 16
• Complexity: 271

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC(N(C1)C(=O)C2=CC=CC=C2)C=O

Technology Process of 1-Benzoyl-4-methylpyrrolidine-2-carbaldehyde

There total 3 articles about 1-Benzoyl-4-methylpyrrolidine-2-carbaldehyde 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: 100.0%

carbon monoxide (201230-82-2) + 1-benzoyl-2-hydroxy-4-methylpyrrolidine (115859-59-1) → 1-benzoyl-2-formyl-4-methylpyrrolidine (115859-57-9)

Guidance literature:

With RhCl(PPh₃)3; hydrogen; at 100 ℃; for 18h; under 93086.7 Torr;

DOI:10.1021/jo00253a051

Reference yield:

carbon monoxide (201230-82-2) + N-(2-methylallyl)benzamide (709-25-1) → 1-benzoyl-2-formyl-4-methylpyrrolidine (115859-57-9)

Guidance literature:

With ClO4; hydrogen; 1,4-di(diphenylphosphino)-butane; In tetrahydrofuran; at 80 ℃; for 18h; under 62057.8 Torr;

DOI:10.1016/0022-328X(91)80177-L

Reference yield:

N-(2-methylallyl)benzamide (709-25-1) → 1-benzoyl-2-formyl-4-methylpyrrolidine (115859-57-9)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂, Rh₄(CO)12 / tetrahydrofuran / 18 h / 100 °C / 41371.8 Torr

2: 100 percent / H₂, RhCl(PPh₃)3 / 18 h / 100 °C / 93086.7 Torr

With dodecacarbonyltetrarhodium⁽⁰⁾; RhCl(PPh₃)3; hydrogen; In tetrahydrofuran;

DOI:10.1021/jo00253a051

upstream raw materials:

carbon monoxide

N-(2-methylallyl)benzamide

1-benzoyl-2-hydroxy-4-methylpyrrolidine