Pentanamide

Base Information

• Chemical Name: Pentanamide
• CAS No.: 626-97-1
• Deprecated CAS: 42861-33-6
• Molecular Formula: C5H11 N O
• Molecular Weight: 101.148
• Hs Code.: 29241900
• European Community (EC) Number: 210-974-0
• NSC Number: 400223
• UNII: TKL9TN43QK
• DSSTox Substance ID: DTXSID3060827
• Nikkaji Number: J44.090F
• Wikidata: Q6071464
• Metabolomics Workbench ID: 4492
• Mol file: 626-97-1.mol

Synonyms:Valeramide(6CI,7CI,8CI); NSC 400223; Pentanimidic acid; Valeric acid amide; n-Valeramide

Chemical Property of Pentanamide

Chemical Property:

• Appearance/Colour: Solid.
• Vapor Pressure: 0.0596mmHg at 25°C
• Melting Point: 101-106 ºC
• Refractive Index: 1.427
• Boiling Point: 232.3 ºCat 760 mmHg
• PKA: 16.68±0.40(Predicted)
• Flash Point: 94.3 ºC
• PSA: 43.09000
• Density: 0.904 g/cm3
• LogP: 1.36220
• Storage Temp.: Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Soluble in water (almost transparency).
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 101.084063974
• Heavy Atom Count: 7
• Complexity: 61.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

Valeramide >98.0%(N) ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)N
• Uses: Valeramide is an inhibitor of human microsomal epoxide hydrolase. Valeramide is also used in the EEG recordings of valerian-related drugs.

Technology Process of Pentanamide

There total 55 articles about 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: 99.0%

pentanonitrile (110-59-8) → pentamide (626-97-1)

Guidance literature:

With [RuH(tBu-PNP(-))(CO)]; water; In tert-butyl alcohol; at 50 ℃; for 24h;

DOI:10.1039/c9sc04624k

Reference yield: 99.0%

caprolactam; 6-aminocaproic acid; 6-aminocaproic amide; nylon-6-oligomers; water; mixture of → caprolactam (105-60-2,9012-16-2) + pentamide (626-97-1) + 5-hexenoic acid (1577-22-6) + hexanoic acid (142-62-1) + valeric acid (109-52-4)

Guidance literature:

at 300 ℃; for 5h; under 9000.9 Torr;

Reference yield: 96.0%

valeric acid (109-52-4) → pentamide (626-97-1)

Guidance literature:

With zirconium(IV) chloride; ammonium carbamate; In tetrahydrofuran; at 100 ℃; for 24h; Inert atmosphere; Molecular sieve;

DOI:10.1002/adsc.201200436

upstream raw materials:

pentane-3-thiol

pentanonitrile

ethyl n-valerate

2-Pentanone

Downstream raw materials:

Pentanoic acid [(3,4-dichloro-phenyl)-pentanoylamino-methyl]-amide

methyl valerate

pentan-1-ol

n-Pentylamine

Refernces

• 1、 Chatterjee, Basujit,Jena, Soumyashree,Chugh, Vishal,Weyhermüller, Thomas,Werlé, Christophe. "A Molecular Iron-Based System for Divergent Bond Activation: Controlling the Reactivity of Aldehydes". . p. 7176 - 7185. Retrieved 2021/06/30.
• 2、 Chen, Jiajia,Lee, Sunwoo,Xia, Yuanzhi. "Transamidation for the Synthesis of Primary Amides at Room Temperature". supporting information. . Retrieved 2020/05/05.