Ethyl 4-{[(2S)-pyrrolidin-2-yl]ethynyl}benzoate

Base Information

Chemical Name:Ethyl 4-{[(2S)-pyrrolidin-2-yl]ethynyl}benzoate
CAS No.:922529-24-6
Molecular Formula:C15H17NO2
Molecular Weight:243.305
Hs Code.:
DSSTox Substance ID:DTXSID90582305
Wikidata:Q82473696

Synonyms:922529-24-6;Ethyl 4-{[(2S)-pyrrolidin-2-yl]ethynyl}benzoate;DTXSID90582305

Suppliers and Price of Ethyl 4-{[(2S)-pyrrolidin-2-yl]ethynyl}benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of Ethyl 4-{[(2S)-pyrrolidin-2-yl]ethynyl}benzoate

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:243.125928785
Heavy Atom Count:18
Complexity:344

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CC=C(C=C1)C#CC2CCCN2
Isomeric SMILES:CCOC(=O)C1=CC=C(C=C1)C#C[C@@H]2CCCN2

Technology Process of Ethyl 4-{[(2S)-pyrrolidin-2-yl]ethynyl}benzoate

There total 3 articles about Ethyl 4-{[(2S)-pyrrolidin-2-yl]ethynyl}benzoate 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%

: 922529-40-6
ethyl 4-[2-[1-(tert-butoxycarbonyl)-(2S)-pyrrolidinyl]ethynyl]phenylacetate

: 922529-24-6
ethyl 4-[2-[(2S)-pyrrolidinyl]ethynyl]phenylacetate

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 12h;
DOI:10.1248/cpb.54.1515

Reference yield:

: 51934-41-9
4-iodobenzoic acid ethyl ester

: 922529-24-6
ethyl 4-[2-[(2S)-pyrrolidinyl]ethynyl]phenylacetate

Guidance literature:: Multi-step reaction with 2 steps

1: 81 percent / Pd(PPh₃)4; CuI; i-Pr₂NH / 3 h / 20 °C

2: 100 percent / TFA / CH₂Cl₂ / 12 h / 20 °C

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; diisopropylamine; trifluoroacetic acid; In dichloromethane;
DOI:10.1248/cpb.54.1515

Reference yield:

: 130418-90-5,130495-08-8
(S)-tert-butyl 2-ethynylpyrrolidine-1-carboxylate

: 922529-24-6
ethyl 4-[2-[(2S)-pyrrolidinyl]ethynyl]phenylacetate

Guidance literature:: Multi-step reaction with 2 steps

1: 81 percent / Pd(PPh₃)4; CuI; i-Pr₂NH / 3 h / 20 °C

2: 100 percent / TFA / CH₂Cl₂ / 12 h / 20 °C

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; diisopropylamine; trifluoroacetic acid; In dichloromethane;
DOI:10.1248/cpb.54.1515