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

Base Information

• Chemical Name: Octadecanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-
• CAS No.: 58493-50-8
• Molecular Formula: C26H45NO3
• Molecular Weight: 419.648
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID50207204
• Nikkaji Number: J567.084E
• Wikidata: Q83081106
• Metabolomics Workbench ID: 143492
• ChEMBL ID: CHEMBL78533
• Mol file: 58493-50-8.mol

Synonyms:58493-50-8;Octadecanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-;N-[(4-hydroxy-3-methoxyphenyl)methyl]octadecanamide;N-Vanillyloctadecanamide;BRN 3456035;Stearoyl vanilylamide;CHEMBL78533;N-((4-Hydroxy-3-methoxyphenyl)methyl)octadecanamide;Stevanil;SCHEMBL5088067;C26H45NO3;DTXSID50207204;BDBM50231217;C26-H45-N-O3;MFCD01755188;AKOS037646572;AS-69651;LS-97664;FT-0700336;J-690327;N-(4-Methyl-3-{1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}phenyl)-3-(trifluoromethy l)benzamide

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

Chemical Property:

• Vapor Pressure: 2.46E-14mmHg at 25°C
• Melting Point: 94.5-95 °C
• Refractive Index: 1.499
• Boiling Point: 586.1 °C at 760 mmHg
• PKA: 9.76±0.20(Predicted)
• Flash Point: 308.3 °C
• PSA: 62.05000
• Density: 0.973 g/cm³
• LogP: 8.11880
• XLogP3: 9.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 19
• Exact Mass: 419.33994430
• Heavy Atom Count: 30
• Complexity: 402

Purity/Quality:

99%, ^*data from raw suppliers

4-Hydroxy-3-methoxy-N-stearoylbenzamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 4 articles about Octadecanamide, 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%

vanillylamine hydrochloride (7149-10-2) + Stearoyl chloride (112-76-5) → N-Vanillyloctadecanamide (58493-50-8)

Guidance literature:

vanillylamine hydrochloride; With sodium hydrogencarbonate; In water; at 20 ℃; for 0.5h;

Stearoyl chloride; In chloroform; water; at 20 ℃; for 0.5h;

DOI:10.1016/j.tet.2009.04.046

Reference yield: 76.0%

vanillylamine hydrochloride (7149-10-2) + stearic acid (57-11-4) → N-Vanillyloctadecanamide (58493-50-8)

Guidance literature:

With diethyl cyanophosphonate; triethylamine; In tetrahydrofuran;

DOI:10.1021/jm020844o

Reference yield: 48.0%

Vanillylamin (1196-92-5) + Stearoyl chloride (112-76-5) → N-Vanillyloctadecanamide (58493-50-8)

Guidance literature:

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

DOI:10.1021/jm00070a002

upstream raw materials:

Vanillylamin

Stearoyl chloride

vanillylamine hydrochloride

stearic acid

Refernces

• 1、 Morita, Akihito,Iwasaki, Yusaku,Kobata, Kenji,Iida, Tohko,Higashi, Tomohiro,Oda, Kyoko,Suzuki, Asami,Narukawa, Masataka,Sasakuma, Shiho,Yokogoshi, Hidehiko,Yazawa, Susumu,Tominaga, Makoto,Watanabe, Tatsuo. "Lipophilicity of capsaicinoids and capsinoids influences the multiple activation process of rat TRPV1". . p. 2303 - 2310. Retrieved 2007/10/03.
• 2、 Janusz, John M.,Buckwalter, Brian L.,Young, Patricia A.,LaHann, Thomas R.,Farmer, Ralph W.,et al.. "Vanilloids. 1. Analogs of Capsaicin with Antinociceptive and Antiinflammatory Activity". . p. 2595 - 2604. Retrieved 2007/10/02.