Phenol, 4-methyl-2-(1-piperidinylmethyl)-

Base Information

• Chemical Name: Phenol, 4-methyl-2-(1-piperidinylmethyl)-
• CAS No.: 21236-74-8
• Molecular Formula: C13H19NO
• Molecular Weight: 205.3
• Hs Code.: 2933399090
• European Community (EC) Number: 244-284-6
• NSC Number: 28692
• UNII: 1MSD6OV23M
• DSSTox Substance ID: DTXSID7066691
• Nikkaji Number: J226.171E
• Wikidata: Q81993266
• Mol file: 21236-74-8.mol

Synonyms:4-methyl-2-(piperidin-1-ylmethyl)phenol;21236-74-8;Phenol, 4-methyl-2-(1-piperidinylmethyl)-;4-Methyl-2-(1-piperidinylmethyl)phenol;alpha2-Piperidino-2,4-xylenol;1MSD6OV23M;NSC-28692;N-(2-Hydroxy-5-methylbenzyl)piperidine;4-methyl-2-[(piperidin-1-yl)methyl]phenol;4-METHYL-2-((PIPERIDIN-1-YL)METHYL)PHENOL;NSC28692;4-Methyl-2-(piperidinomethyl)phenol;ChemDiv1_027117;UNII-1MSD6OV23M;Oprea1_510620;SCHEMBL4040712;DTXSID7066691;HMS664A13;EINECS 244-284-6;2-(Piperidinomethyl)-4-methylphenol;NSC 28692;STL183273;AKOS017333384;2,4-XYLENOL, .ALPHA.2-PIPERIDINO-;EU-0033292;EN300-70339;4-METHYL-2-((N-PIPERIDINO)METHYL)PHENOL;SR-01000597204;SR-01000597204-1;F0850-6760;Z1079458542

Chemical Property of Phenol, 4-methyl-2-(1-piperidinylmethyl)-

Chemical Property:

• Refractive Index: 1.5175 (estimate)
• Boiling Point: 332.9°Cat760mmHg
• Flash Point: 139.1°C
• PSA: 23.47000
• Density: 1.077g/cm³
• LogP: 2.62440
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 205.146664230
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)O)CN2CCCCC2

Technology Process of Phenol, 4-methyl-2-(1-piperidinylmethyl)-

There total 7 articles about Phenol, 4-methyl-2-(1-piperidinylmethyl)- 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: 90.0%

piperidine (110-89-4) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + p-cresol (106-44-5) → 4-methyl-2-(piperidin-1-ylmethyl)phenol (21236-74-8)

Guidance literature:

With pyrographite; In water; at 100 ℃;

DOI:10.1139/V08-026

Reference yield: 81.0%

piperidine (110-89-4) + [2-(tert-butyl-diphenyl-silanyloxy)-5-methyl-benzyl]-trimethyl-ammonium; iodide → 4-methyl-2-(piperidin-1-ylmethyl)phenol (21236-74-8)

Guidance literature:

With tetrabutyl ammonium fluoride; at 20 ℃;

DOI:10.1016/S0040-4039(03)00393-9

Reference yield: 78.0%

piperidine (110-89-4) + methanol (67-56-1) + p-cresol (106-44-5) → 4-methyl-2-(piperidin-1-ylmethyl)phenol (21236-74-8)

Guidance literature:

With [(N,N'-bis(diisopropylphosphino)-2,6-diaminopyridine)Mn(CO)₂H]; potassium tert-butylate; In toluene; at 130 ℃; for 16h; Inert atmosphere; Sealed tube; Green chemistry;

DOI:10.1021/jacs.7b05253

upstream raw materials:

piperidine

formaldehyd

p-cresol

2-(dimethylamino-methyl)-4-methyl-phenol

Downstream raw materials:

4-Methyl-2-(2-methyl-2-nitropropyl)phenol

2-(2-Amino-2-methylpropyl)-4-methylphenol

Refernces

• 1、 Sharghi, Hashem,Khalifeh, Reza. "Reaction on a solid surface - A simple, economical, and efficient Mannich reaction of azacrown ethers over graphite". . p. 426 - 434. Retrieved 2008/09/20.
• 2、 Page, Philip C. Bulman,Heaney, Harry,McGrath, Matthew J.,Sampler, Edward P.,Wilkins, Robert F.. "Retro-Mannich reactions of 3-alkyl-3,4-dihydro-2H-1,3-benz[e]oxazines and the synthesis of axially chiral resorcinarenes". . p. 2965 - 2970. Retrieved 2007/10/03.