2-(Ethylthio)pentanamide

Base Information

• Chemical Name: 2-(Ethylthio)pentanamide
• CAS No.: 128960-23-6
• Molecular Formula: C₇H₁₅NOS
• Molecular Weight: 161.268
• DSSTox Substance ID: DTXSID80926259
• Mol file: 128960-23-6.mol

Synonyms:2-(Ethylthio)pentanamide;2-Propyl-3-thiapentanamide;Pentanamide, 2-(ethylthio)-;BRN 1754490;128960-23-6;3-03-00-00610 (Beilstein Handbook Reference);SCHEMBL7452796;DTXSID80926259;2-(Ethylsulfanyl)pentanimidic acid;LS-101511

Chemical Property of 2-(Ethylthio)pentanamide

Chemical Property:

• Vapor Pressure: 0.00397mmHg at 25°C
• Boiling Point: 279.6°C at 760 mmHg
• Flash Point: 122.9°C
• Density: 1.012g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 161.08743528
• Heavy Atom Count: 10
• Complexity: 106

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C(=O)N)SCC

Technology Process of 2-(Ethylthio)pentanamide

There total 3 articles about 2-(Ethylthio)pentanamide 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: 37.0%

2-propyl-3-thiapentanenitrile (60340-33-2) → 2-propyl-3-thiapentanamide (128960-23-6)

Guidance literature:

With sodium hydroxide; In ethanol; for 15h; Heating;

Reference yield:

2-bromopentanoyl chloride (42768-45-6) → 2-propyl-3-thiapentanamide (128960-23-6)

Guidance literature:

Multi-step reaction with 2 steps

1: water; NH₃ / 0 °C

2: sodium ethylate

With ammonia; water; sodium ethanolate;

DOI:10.1021/ja01267a047

Reference yield:

bromo-N-propylacetamide (59863-66-0) + ethanethiol (75-08-1) → 2-propyl-3-thiapentanamide (128960-23-6)

Guidance literature:

With sodium ethanolate;

DOI:10.1021/ja01267a047

upstream raw materials:

bromo-N-propylacetamide

ethanethiol

2-propyl-3-thiapentanenitrile

2-bromopentanoyl chloride