1-Benzyl-4-hydroxypiperidine

Base Information

• Chemical Name: 1-Benzyl-4-hydroxypiperidine
• CAS No.: 4727-72-4
• Molecular Formula: C12H17NO
• Molecular Weight: 191.273
• Hs Code.: 29333990
• European Community (EC) Number: 225-226-9
• NSC Number: 72991
• DSSTox Substance ID: DTXSID80197083
• Nikkaji Number: J31.374B
• Wikidata: Q72441335
• ChEMBL ID: CHEMBL4796237
• Mol file: 4727-72-4.mol

Synonyms:1-Benzyl-4-hydroxypiperidine;4727-72-4;1-Benzylpiperidin-4-ol;1-Benzyl-4-piperidinol;N-Benzyl-4-hydroxypiperidine;1-Benzyl-piperidin-4-ol;4-Piperidinol, 1-(phenylmethyl)-;N-Benzyl-4-hydroxy piperidine;1-(phenylmethyl)piperidin-4-ol;1-(Phenylmethyl)-4-piperidinol;CHEMBL4796237;EINECS 225-226-9;NSC72991;MFCD00006503;n-benzyl-4-piperidinol;N-benzylpiperidin-4-ol;Maybridge4_002103;4-Piperidinol, 1-benzyl-;4-hydroxy-l-benzylpiperidine;4-hydroxy-n-benzylpiperidine;Oprea1_200507;1-phenylmethyl-4-piperidinol;4-hydroxy-1-benzylpiperidine;1-benyl-4-hydroxy-piperidine;4-hydroxy-N-benzyl piperidine;N-benzyl-4-hydroxy-piperidine;SCHEMBL266138;1-benzyl-4-hydroxy piperidine;1-benzyl-4-hydroxy-piperidine;1-?Benzyl-4-hydroxypiperidine;BPPZXJZYCOETDA-UHFFFAOYSA-;DTXSID80197083;HMS1526P13;BCP22285;1-Benzyl-4-hydroxypiperidine, 96%;AB6308;BDBM50564576;CCG-43889;NSC 72991;NSC-72991;AKOS000249633;AC-2765;CS-W001904;LF-0533;SB42956;NCGC00176919-01;AM100849;B2252;BB 0220514;FT-0635414;FT-0663026;FT-0663027;N-Benzyl-4-hydroxypiperidine N-Benzyl-4-piperidinol;SR-01000633765-1;W-106077;BRD-K42476738-001-01-4;Z54505512

Chemical Property of 1-Benzyl-4-hydroxypiperidine

Chemical Property:

• Appearance/Colour: white to yellowish crystalline powder
• Vapor Pressure: 0.000738mmHg at 25°C
• Melting Point: 60-65 °C
• Refractive Index: 1.5212 (estimate)
• Boiling Point: 294.4 °C at 760 mmHg
• PKA: 14.87±0.20(Predicted)
• Flash Point: 123.5 °C
• PSA: 23.47000
• Density: 1.106 g/cm³
• LogP: 1.58120
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Hygroscopic
• Solubility.: Chloroform, Methanol
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 191.131014166
• Heavy Atom Count: 14
• Complexity: 158

Purity/Quality:

99.9% ^*data from raw suppliers

1-Benzyl-4-piperidinol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, C, Xi, Xn
• Hazard Codes: T,C,Xi,Xn
• Statements: 25-36/37/38-20/21/22
• Safety Statements: 26-45-37/39-36

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCC1O)CC2=CC=CC=C2
• Uses: A piperidine based pesticide 1-Benzyl-4-hydroxypiperidine is the reactant for synthesis of: Muscarinic acetylcholine receptor antagonist and beta 2 adrenoceptor agonist1 Fatty acid amide hydrolase inhibitors PI3 kinase-alpha inhibitors Flavonoid derivatives used as dual binding acetylcholinesterase inhibitors Urotensin-II receptor antagonists Rho kinase inhibitors. 1-Benzyl-4-hydroxypiperidine was used as an alternative molecule to study the ligand concentration attached to the epoxy-activated Sepharose 6B.

Technology Process of 1-Benzyl-4-hydroxypiperidine

There total 32 articles about 1-Benzyl-4-hydroxypiperidine 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: 100.0%

1-phenylmethyl-4-piperidone (3612-20-2) → 1-benzyl-4-hydroxypiperidine (4727-72-4)

Guidance literature:

With zirconium dioxide hydrate; isopropyl alcohol; at 130 ℃; for 0.666667h;

DOI:10.1021/ol400856g

Reference yield: 100.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N-benzyl-1-(4-chlorophenyl)-3-butenylamine (111865-49-7) → 1-benzyl-4-hydroxypiperidine (4727-72-4)

Guidance literature:

With trifluoroacetic acid; In water; acetonitrile; at 20 ℃; for 1h;

DOI:10.1002/ejoc.201403607

Reference yield: 100.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + C27H28N2 → 1-benzyl-4-hydroxypiperidine (4727-72-4)

Guidance literature:

With trifluoroacetic acid; In water; acetonitrile; at 20 ℃; for 1h;

DOI:10.1002/ejoc.201403607

upstream raw materials:

1-phenylmethyl-4-piperidone

1-benzyl-4-piperidone hydrochloride

formaldehyd

N-benzyl-3-butenylamine

Downstream raw materials:

1-Benzyl-4-(4-(methylthio)phenoxy)piperidine

1-benzylpiperidin-4-yl 2-hydroxy-2,2-diphenylacetate

1-Benzyl-4-(2-(methylthio)phenoxy)piperidine

<<1-(phenylmethyl)-4-piperidinyl>oxy>acetic acid

Refernces

• 1、 -. "Compounds and methods of use". Page/Page column 471. . Retrieved 2021/08/04.
• 2、 Dawood, Rafid S.,Dayl, Sudad A.. "Synthesis, identification and molecular docking studies of N-functionalized piperidine derivatives linked to 1,2,3-triazole ring". supporting information. . Retrieved 2020/07/03.