Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester

Base Information

• Chemical Name: Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester
• CAS No.: 4398-62-3
• Molecular Formula: C₂₀H₂₃NO₃
• Molecular Weight: 325.408
• NSC Number: 23582
• DSSTox Substance ID: DTXSID70196005
• Wikidata: Q83069085
• ChEMBL ID: CHEMBL1891592
• Mol file: 4398-62-3.mol

Synonyms:BRL 539;NSC 23582;BRN 0037393;BENZILIC ACID, 2-(1-PYRROLIDINYL)ETHYL ESTER;MLS002638951;4398-62-3;Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-(1-pyrrolidinyl)ethyl ester;4-20-00-00106 (Beilstein Handbook Reference);CHEMBL1891592;DTXSID70196005;HMS3085E14;NSC23582;NSC-23582;LS-32525;SMR001548411

Chemical Property of Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester

Chemical Property:

• Vapor Pressure: 3.85E-08mmHg at 25°C
• Boiling Point: 429.5°Cat760mmHg
• Flash Point: 213.6°C
• Density: 1.178g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 325.16779360
• Heavy Atom Count: 24
• Complexity: 376

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

Technology Process of Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester

There total 3 articles about Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester 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:

N-(2-chloroethyl)-pyrrolidine (5050-41-9) + Benzilic acid (76-93-7) → benzilic acid-(2-pyrrolidino-ethyl ester) (4398-62-3)

Guidance literature:

With isopropyl alcohol;

DOI:10.1021/ja01611a048

Reference yield:

1-(2-chloroethyl)pyrrolidine hydrochloride (7250-67-1) + Benzilic acid (76-93-7) → benzilic acid-(2-pyrrolidino-ethyl ester) (4398-62-3)

Guidance literature:

With sodium isopropylate; isopropyl alcohol;

Reference yield:

→ benzilic acid-(2-pyrrolidino-ethyl ester) (4398-62-3)

Guidance literature:

aus Benzilsaeure, 1-Chlor-2-pyrrolidino-aethan, Δ, Propan-2-ol;

DOI:10.1139/v60-172

upstream raw materials:

N-(2-chloroethyl)-pyrrolidine

Benzilic acid

1-(2-chloroethyl)pyrrolidine hydrochloride

Downstream raw materials:

1-(2-benziloyloxy-ethyl)-1-methyl-pyrrolidinium; bromide