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

Base Information

• Chemical Name: Heptanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-
• CAS No.: 89575-10-0
• Molecular Formula: C15H23NO3
• Molecular Weight: 265.348
• Hs Code.: 2924299090
• NSC Number: 97282
• UNII: 52IN1DN4L2
• DSSTox Substance ID: DTXSID10237784
• Nikkaji Number: J567.079I
• Wikidata: Q83120004
• ChEMBL ID: CHEMBL87547
• Mol file: 89575-10-0.mol

Synonyms:89575-10-0;N-VANILLYLHEPTANAMIDE;Heptanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-;N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide;N-((4-Hydroxy-3-methoxyphenyl)methyl)heptanamide;52IN1DN4L2;NSC-97282;N-[(4-hydroxy-3-methoxyphenyl)-methyl]-heptaylamide;NSC 97282;BRN 3349793;n-(4-hydroxy-3-methoxybenzyl)heptanamide;NSC97282;UNII-52IN1DN4L2;CHEMBL87547;SCHEMBL8373082;DTXSID10237784

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

Chemical Property:

• Vapor Pressure: 1.43E-09mmHg at 25°C
• Boiling Point: 473°Cat760mmHg
• Flash Point: 239.9°C
• PSA: 58.56000
• Density: 1.062g/cm³
• LogP: 3.37830
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 265.16779360
• Heavy Atom Count: 19
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 5 articles about Heptanamide, 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: 94.0%

→ N-heptanoate vanillylamide (89575-10-0)

Guidance literature:

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

Reference yield: 59.0%

Vanillylamin (1196-92-5) + Heptanoic acid chloride (2528-61-2) → N-heptanoate vanillylamide (89575-10-0)

Guidance literature:

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

DOI:10.1021/jm00070a002

Reference yield: 58.97%

vanillylamine hydrochloride (7149-10-2) + Heptanoic acid chloride (2528-61-2) → N-heptanoate vanillylamide (89575-10-0)

Guidance literature:

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

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

DOI:10.1021/jf9035029

upstream raw materials:

oenanthic acid

vanillylamine hydrochloride

Vanillylamin

Heptanoic acid chloride

Refernces

• 1、 Barbero, Gerardo F.,Molinillo, Jose M. G.,Varela, Rosa M.,Palma, Miguel,MacIas, Francisco A.,Barroso, Carmelo G.. "Application of hansch's model to capsaicinoids and capsinoids: A study using the quantitative structure-activity relationship. A novel method for the synthesis of capsinoids". experimental part. p. 3342 - 3349. Retrieved 2011/07/30.