Ethyl 5-aminovalerate

Base Information

• Chemical Name: Ethyl 5-aminovalerate
• CAS No.: 26342-05-2
• Molecular Formula: C7H15NO2
• Molecular Weight: 145.202
• Hs Code.: 2922499990
• ChEMBL ID: CHEMBL2448939
• DSSTox Substance ID: DTXSID30466791
• Nikkaji Number: J2.419.036F
• Wikidata: Q82293432
• Mol file: 26342-05-2.mol

Synonyms:26342-05-2;Ethyl 5-aminopentanoate;ETHYL 5-AMINOVALERATE;SCHEMBL1093065;5-aminovaleric acid ethyl ester;CHEMBL2448939;DTXSID30466791;YMYLIDVSLIIAPI-UHFFFAOYSA-N;MFCD08064271;Pentanoic acid,5-amino-,ethyl ester;EN300-177654;1,1,2,3,3,3-HEXAFLUOROPROPYLCHLOROFLUOROMETHYLETHER

Chemical Property of Ethyl 5-aminovalerate

Chemical Property:

• Vapor Pressure: 0.542mmHg at 25°C
• Refractive Index: 1.439
• Boiling Point: 190.398 °C at 760 mmHg
• Flash Point: 62.01 °C
• PSA: 52.32000
• Density: 0.96 g/cm³
• LogP: 1.37880
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 145.110278721
• Heavy Atom Count: 10
• Complexity: 93.6

Purity/Quality:

99% ^*data from raw suppliers

ETHYL-5-AMINOVALERATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCCN

Technology Process of Ethyl 5-aminovalerate

There total 4 articles about Ethyl 5-aminovalerate 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: 57.0%

C22H19F17N2O2 → δ-aminovaleric acid ethyl ester (26342-05-2)

Guidance literature:

With chloro-trimethyl-silane; lithium chloride; In N,N-dimethyl-formamide; at 60 ℃; for 12h;

DOI:10.1021/jacs.0c09403

Reference yield:

ethanol (64-17-5) + 5-aminopentanoic acid (660-88-8) → δ-aminovaleric acid ethyl ester (26342-05-2)

Guidance literature:

With hydrogenchloride;

Reference yield:

1,3-dioxoisoindolin-2-yl ethyl adipate → δ-aminovaleric acid ethyl ester (26342-05-2)

Guidance literature:

Multi-step reaction with 2 steps

1: chloro-trimethyl-silane; iron(III)-acetylacetonate; zinc; o-phenylenebis(diphenylphosphine) / N,N-dimethyl-formamide / 16 h / 60 °C / Inert atmosphere; Darkness

2: chloro-trimethyl-silane; lithium chloride / N,N-dimethyl-formamide / 12 h / 60 °C

With chloro-trimethyl-silane; iron(III)-acetylacetonate; o-phenylenebis(diphenylphosphine); lithium chloride; zinc; In N,N-dimethyl-formamide;

DOI:10.1021/jacs.0c09403

upstream raw materials:

ethanol

5-aminopentanoic acid

adipinic acid monoethyl ester

Downstream raw materials:

5-phenylsulfanylcarbonylamino-valeric acid ethyl ester

C₁₇H₂₄N₂O₅S

ethyl 5-(4-(2,3-dihydro-1H-perimidin-2-yl)benzamido)pentanoate

C₁₅H₂₀N₂O₅S