1-Benzylpyrrolidine-3-carbaldehyde

Base Information

• Chemical Name: 1-Benzylpyrrolidine-3-carbaldehyde
• CAS No.: 72351-49-6
• Molecular Formula: C₁₂H₁₅NO
• Molecular Weight: 189.257
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10404616
• Mol file: 72351-49-6.mol

Synonyms:1-benzylpyrrolidine-3-carbaldehyde;72351-49-6;1-Benzyl-pyrrolidine-3-carbaldehyde;1-benzyl-3-formylpyrrolidine;SCHEMBL2538235;DTXSID10404616;PAMPHILDHRTJLG-UHFFFAOYSA-N;1-Phenylmethyl-3-formylpyrrolidine;XCA35149;1-benzylpyrrolidine-3-carboxaldehyde;MFCD04038545;AKOS006229123;DS-9686;AM101193;CS-0342985;FT-0730796;A866274

Chemical Property of 1-Benzylpyrrolidine-3-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.00373mmHg at 25°C
• Refractive Index: 1.619
• Boiling Point: 280.7 °C at 760 mmHg
• Flash Point: 98.4 °C
• PSA: 20.31000
• Density: 1.149 g/cm³
• LogP: 1.64530
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 189.115364102
• Heavy Atom Count: 14
• Complexity: 187

Purity/Quality:

98% ^*data from raw suppliers

1-benzylpyrrolidine-3-carbaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC1C=O)CC2=CC=CC=C2

Technology Process of 1-Benzylpyrrolidine-3-carbaldehyde

There total 2 articles about 1-Benzylpyrrolidine-3-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:

1-(Phenylmethyl)-3-pyrrolidinemethanol (5731-17-9) → 1-Benzyl-pyrrolidine-3-carboxaldehyde (72351-49-6)

Guidance literature:

Reference yield:

methyl 1-benzyl-2-oxo-pyrrolidine-3-carboxylate (71725-74-1) → 1-Benzyl-pyrrolidine-3-carboxaldehyde (72351-49-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium bis(2-methoxyethoxy)aluminium dihydride / toluene / 15 - 20 °C

2: triethylamine; oxalyl dichloride / dichloromethane; dimethyl sulfoxide / 20 °C

With oxalyl dichloride; triethylamine; sodium bis(2-methoxyethoxy)aluminium dihydride; In dichloromethane; dimethyl sulfoxide; toluene; 2: |Swern Oxidation;

DOI:10.1016/j.ejmech.2016.10.036

Reference yield:

1-Benzyl-pyrrolidine-3-carboxaldehyde (72351-49-6) → 2-[(1-benzylpyrrolidin-3-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / methanol; water / 50 °C

1.2: 2.5 h / 50 °C

2.1: palladium 10% on activated carbon; hydrogen / ethanol / 12 h / 20 °C / 760.05 Torr

With palladium 10% on activated carbon; hydrogen; potassium carbonate; In methanol; ethanol; water;

DOI:10.1016/j.ejmech.2016.10.036

upstream raw materials:

1-(Phenylmethyl)-3-pyrrolidinemethanol

methyl 1-benzyl-2-oxo-pyrrolidine-3-carboxylate

Refernces

• 1、 -. "NITROGENOUS HETEROCYCLIC DERIVATIVE HAVING 2,6-DISUBSTITUTED STYRYL". Page/Page column 16. . Retrieved 2010/02/14.