vanillylamin

Base Information

• Chemical Name: vanillylamin
• CAS No.: 1196-92-5
• Molecular Formula: C8H11 N O2
• Molecular Weight: 153.181
• Hs Code.: 2922509090
• European Community (EC) Number: 422-450-0
• UNII: 1WEZ91E3Z0
• DSSTox Substance ID: DTXSID90152522
• Nikkaji Number: J60.119E
• Wikipedia: Vanillylamine
• Wikidata: Q17105361
• Metabolomics Workbench ID: 41990
• ChEMBL ID: CHEMBL4593283
• Mol file: 1196-92-5.mol

Synonyms:Creosol, a-amino- (6CI); p-Cresol, a-amino-2-methoxy- (7CI,8CI);(3-Methoxy-4-hydroxyphenyl)methylamine; (4-Hydroxy-3-methoxyphenyl)methanamine;3-Methoxy-4-hydroxybenzylamine; 4-Aminomethyl-2-methoxy-phenol;4-Hydroxy-3-methoxybenzylamine; Capsivirol-T; Vanillylamine;[(4-Hydroxy-3-methoxyphenyl)methyl]amine

Chemical Property of vanillylamin

Chemical Property:

• Vapor Pressure: 0.00102mmHg at 25°C
• Melting Point: 131-133 °C(Solv: ethanol (64-17-5))
• Boiling Point: 292.9°Cat760mmHg
• PKA: 8.98±0.31(Predicted)
• Flash Point: 130.9°C
• PSA: 55.48000
• Density: 1.161g/cm³
• LogP: 1.55980
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 153.078978594
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

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

4-(Aminomethyl)-2-methoxyphenol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: COC1=C(C=CC(=C1)CN)O
• Uses: 4-Hydroxy-3-methoxybenzylamine is used in preparation of capsaicin.

Technology Process of vanillylamin

There total 24 articles about vanillylamin 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: 98.0%

vanillin oxime (2874-33-1) → Vanillylamin (1196-92-5)

Guidance literature:

With sodium hydrogensulfate monohydrate; molybdenum(V) chloride; sodium cyanoborohydride; In ethanol; for 0.8h; Reflux;

DOI:10.5012/bkcs.2011.32.9.3323

Reference yield: 95.0%

vanillin (121-33-5,8014-42-4) → Vanillylamin (1196-92-5)

Guidance literature:

With ammonia; hydrogen; In methanol; at 90 ℃; for 4h; under 15001.5 Torr; Reagent/catalyst; Autoclave;

Reference yield: 92.2%

vanillylamine hydrochloride (7149-10-2) → Vanillylamin (1196-92-5)

Guidance literature:

With sodium hydroxide; In water; for 0.166667h;

upstream raw materials:

vanillin oxime

vanillin

methanol

Nonivamide

Downstream raw materials:

N-(4-hydroxy-3-methoxybenzyl)dodecanamide

Nonivamide

N-Vanillylundecanamide

N-vanillyl-9E-octadecenamide

Refernces

• 1、 Kaga, Harumi,Miura, Masakatsu,Orito, Kazuhiko. "A Facile Procedure for Synthesis of Capsaicin". . p. 3477 - 3478. Retrieved 1989.
• 2、 -. "Preparation method of capsaicine and capsaicine prepared by method". Paragraph 0115-0117. . Retrieved 2021/04/07.
• 3、 -. "Method for preparing primary amine by catalyzing reductive amination of aldehyde ketone compounds". Paragraph 0045-0048; 0060-0063. . Retrieved 2020/05/30.