1-Benzyl-3-methylpyrrolidine-3-carboxylic acid

Base Information

• Chemical Name: 1-Benzyl-3-methylpyrrolidine-3-carboxylic acid
• CAS No.: 181114-74-9
• Molecular Formula: C13H17NO2
• Molecular Weight: 219.28
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80395007
• Mol file: 181114-74-9.mol

Synonyms:181114-74-9;1-benzyl-3-methylpyrrolidine-3-carboxylic acid;1-benzyl-3-methyl-pyrrolidine-3-carboxylic Acid;1-Benzyl-3-methyl pyrrolidine-3-carboxylic acid;SCHEMBL4293243;DTXSID80395007;MSUXGUJKSWGNTC-UHFFFAOYSA-N;MFCD05662803;AKOS012449297;CS-0279388;FT-0643745;1-Benzyl-3-methylpyrrolidine-3-carboxylicacid;EN300-147740

Chemical Property of 1-Benzyl-3-methylpyrrolidine-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.84E-05mmHg at 25°C
• Refractive Index: 1.569
• Boiling Point: 342.7°Cat760mmHg
• Flash Point: 161.1°C
• PSA: 40.54000
• Density: 1.161g/cm³
• LogP: 1.92110
• Storage Temp.: 2-8°C
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 219.125928785
• Heavy Atom Count: 16
• Complexity: 261

Purity/Quality:

97% ^*data from raw suppliers

1-Benzyl-3-methylpyrrolidine-3-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCN(C1)CC2=CC=CC=C2)C(=O)O

Technology Process of 1-Benzyl-3-methylpyrrolidine-3-carboxylic acid

There total 3 articles about 1-Benzyl-3-methylpyrrolidine-3-carboxylic acid 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: 78.0%

ethyl (R)-1-benzyl-3-methylpyrrolidine-3-carboxylate (1410783-75-3) → (R)-1-benzyl-3-methylpyrrolidine-3-carboxylic acid (1410783-76-4,181114-74-9)

Guidance literature:

With lithium hydroxide; In ethanol; water; at 20 ℃; for 24h;

DOI:10.1021/jo3015903

Reference yield:

benzyl bromide (100-39-0) → (R)-1-benzyl-3-methylpyrrolidine-3-carboxylic acid (1410783-76-4,181114-74-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / tetrahydrofuran; mineral oil / 0 - 20 °C / Inert atmosphere

1.2: 95 °C / Inert atmosphere

1.3: Raney-Ni / 4 h

2.1: lithium hydroxide / water; ethanol / 24 h / 20 °C

With sodium hydride; lithium hydroxide; In tetrahydrofuran; ethanol; water; mineral oil;

DOI:10.1021/jo3015903

Reference yield:

ethyl (R)-3-methyl-2-oxopyrrolidine-3-carboxylate (1410783-69-5) → (R)-1-benzyl-3-methylpyrrolidine-3-carboxylic acid (1410783-76-4,181114-74-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / tetrahydrofuran; mineral oil / 0 - 20 °C / Inert atmosphere

1.2: 95 °C / Inert atmosphere

1.3: Raney-Ni / 4 h

2.1: lithium hydroxide / water; ethanol / 24 h / 20 °C

With sodium hydride; lithium hydroxide; In tetrahydrofuran; ethanol; water; mineral oil;

DOI:10.1021/jo3015903

upstream raw materials:

benzyl bromide

ethyl (R)-3-methyl-2-oxopyrrolidine-3-carboxylate

ethyl (R)-1-benzyl-3-methylpyrrolidine-3-carboxylate

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