(2s)-1-[1-(4-Phenylbutanoyl)-L-Prolyl]pyrrolidine-2-Carbonitrile

Base Information

Chemical Name:(2s)-1-[1-(4-Phenylbutanoyl)-L-Prolyl]pyrrolidine-2-Carbonitrile
CAS No.:796874-99-2
Molecular Formula:C₂₀H₂₅N₃O₂
Molecular Weight:339.437
Hs Code.:
UNII:8J78D7C2FJ
Wikidata:Q27453163
Pharos Ligand ID:MUAVDUL1XRWL
ChEMBL ID:CHEMBL189620

Synonyms:4-phenylbutanoyl-prolylcyanopyrrolidine;KYP 2047;KYP-2047;KYP2047

Suppliers and Price of (2s)-1-[1-(4-Phenylbutanoyl)-L-Prolyl]pyrrolidine-2-Carbonitrile

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 8 raw suppliers

Chemical Property of (2s)-1-[1-(4-Phenylbutanoyl)-L-Prolyl]pyrrolidine-2-Carbonitrile

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:339.19467705
Heavy Atom Count:25
Complexity:532

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC(N(C1)C(=O)C2CCCN2C(=O)CCCC3=CC=CC=C3)C#N
Isomeric SMILES:C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)CCCC3=CC=CC=C3)C#N

Technology Process of (2s)-1-[1-(4-Phenylbutanoyl)-L-Prolyl]pyrrolidine-2-Carbonitrile

There total 4 articles about (2s)-1-[1-(4-Phenylbutanoyl)-L-Prolyl]pyrrolidine-2-Carbonitrile 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: 94.0%

: C₂₀H₂₇N₃O₃

: 796874-99-2
N-(4-phenylbutanoyl-L-prolyl)-2(S)-cyanopyrrolidine

Guidance literature:: With triethylamine; trifluoroacetic anhydride; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;
DOI:10.1021/acsmedchemlett.9b00394

Reference yield:

: 18496-54-3
phenylbutyric acid chloride

: 796874-99-2
N-(4-phenylbutanoyl-L-prolyl)-2(S)-cyanopyrrolidine

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium carbonate / water; diethyl ether / 16 h

2.1: triethylamine; pivaloyl chloride / dichloromethane / 1 h / 0 °C / Inert atmosphere

2.2: 0 - 20 °C / Inert atmosphere

3.1: triethylamine; trifluoroacetic anhydride / tetrahydrofuran / 0 - 20 °C / Inert atmosphere

With pivaloyl chloride; sodium carbonate; triethylamine; trifluoroacetic anhydride; In tetrahydrofuran; diethyl ether; dichloromethane; water;
DOI:10.1021/acsmedchemlett.9b00394

Reference yield:

: 1821-12-1
4-Phenylbutyric acid

: 796874-99-2
N-(4-phenylbutanoyl-L-prolyl)-2(S)-cyanopyrrolidine

Guidance literature:: Multi-step reaction with 4 steps

1.1: thionyl chloride / 2.25 h / 67 - 90 °C

2.1: sodium carbonate / water; diethyl ether / 16 h

3.1: triethylamine; pivaloyl chloride / dichloromethane / 1 h / 0 °C / Inert atmosphere

3.2: 0 - 20 °C / Inert atmosphere

4.1: triethylamine; trifluoroacetic anhydride / tetrahydrofuran / 0 - 20 °C / Inert atmosphere

With thionyl chloride; pivaloyl chloride; sodium carbonate; triethylamine; trifluoroacetic anhydride; In tetrahydrofuran; diethyl ether; dichloromethane; water;
DOI:10.1021/acsmedchemlett.9b00394