Benzoic acid, o-ethoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester, hydrochloride

Base Information

• Chemical Name: Benzoic acid, o-ethoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester, hydrochloride
• CAS No.: 112819-13-3
• Molecular Formula: C₂₁H₂₅NO₃*ClH
• Molecular Weight: 375.895
• DSSTox Substance ID: DTXSID00920911
• Mol file: 112819-13-3.mol

Synonyms:alpha-Phenyl-1-pyrrolidineethanol o-ethoxybenzoate (ester) hydrochloride;1-Pyrrolidineethanol, alpha-phenyl-, o-ethoxybenzoate (ester), hydrochloride;Benzoic acid, o-ethoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester, hydrochloride;112819-13-3;DTXSID00920911;LS-137838;1-Phenyl-2-(pyrrolidin-1-yl)ethyl 2-ethoxybenzoate--hydrogen chloride (1/1)

Chemical Property of Benzoic acid, o-ethoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester, hydrochloride

Chemical Property:

• Vapor Pressure: 3.79E-09mmHg at 25°C
• Boiling Point: 473.9°Cat760mmHg
• Flash Point: 240.4°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 375.1601214
• Heavy Atom Count: 26
• Complexity: 402

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC=C1C(=O)OC(CN2CCCC2)C3=CC=CC=C3.Cl

Technology Process of Benzoic acid, o-ethoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester, hydrochloride

There total 1 articles about Benzoic acid, o-ethoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester, hydrochloride 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-phenyl-2-(pyrrolidin-1-yl)ethanol (5407-61-4) + 2-ethoxybenzoyl chloride (42926-52-3) → 2-ethoxy-benzoic acid-(1-phenyl-2-pyrrolidino-ethyl ester); hydrochloride (112819-13-3)

Guidance literature:

With benzene;

DOI:10.1021/ja01510a047

upstream raw materials:

1-phenyl-2-(pyrrolidin-1-yl)ethanol

2-ethoxybenzoyl chloride