Pentanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-

Base Information

• Chemical Name: Pentanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-
• CAS No.: 93094-25-8
• Molecular Formula: C13H19NO3
• Molecular Weight: 237.2949
• DSSTox Substance ID: DTXSID10239263
• Nikkaji Number: J572.094J
• Wikidata: Q83121600
• ChEMBL ID: CHEMBL419862
• Mol file: 93094-25-8.mol

Synonyms:BRN 3338262;Pentanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-;N-((4-Hydroxy-3-methoxyphenyl)methyl)pentanamide;93094-25-8;N-(4-Hydroxy-3-methoxybenzyl)pentanamide;CHEMBL419862;SCHEMBL3266072;DTXSID10239263;LS-101513;N-[(4-hydroxy-3-methoxyphenyl)-methyl]-pentaylamide

Chemical Property of Pentanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-

Chemical Property:

• Vapor Pressure: 6.74E-09mmHg at 25°C
• Boiling Point: 455°C at 760 mmHg
• Flash Point: 229°C
• Density: 1.095g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 237.13649347
• Heavy Atom Count: 17
• Complexity: 233

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)NCC1=CC(=C(C=C1)O)OC

Technology Process of Pentanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-

There total 5 articles about Pentanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)- 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: 96.0%

→ N-vanillylvaleramide (93094-25-8)

Guidance literature:

With indium(III) chloride; oxygen; ferric nitrate; at 30 ℃; for 0.5h; Schlenk technique;

Reference yield: 56.42%

vanillylamine hydrochloride (7149-10-2) + n-valeryl chloride (638-29-9) → N-vanillylvaleramide (93094-25-8)

Guidance literature:

vanillylamine hydrochloride; With sodium hydroxide; In water; N,N-dimethyl-formamide; at 20 ℃; for 1h; Inert atmosphere; Cooling with ice;

n-valeryl chloride; In tetrahydrofuran; water; N,N-dimethyl-formamide; at 20 ℃; for 18h; Inert atmosphere; Cooling with ice;

DOI:10.1021/jf9035029

Reference yield: 55.0%

Vanillylamin (1196-92-5) + n-valeryl chloride (638-29-9) → N-vanillylvaleramide (93094-25-8)

Guidance literature:

In diethyl ether; N,N-dimethyl-formamide; Ambient temperature;

DOI:10.1021/jm00070a002

upstream raw materials:

Vanillylamin

n-valeryl chloride

valeric acid

vanillylamine hydrochloride