4-Benzylpiperidin-4-ol

Base Information

• Chemical Name: 4-Benzylpiperidin-4-ol
• CAS No.: 51135-96-7
• Molecular Formula: C12H17NO
• Molecular Weight: 191.273
• Hs Code.: 29333999
• European Community (EC) Number: 257-003-7
• NSC Number: 83237
• UNII: LR6D2NEF7K
• DSSTox Substance ID: DTXSID40199164
• Nikkaji Number: J83.612E
• Wikidata: Q72441338
• ChEMBL ID: CHEMBL1409838
• Mol file: 51135-96-7.mol

Synonyms:4-Benzylpiperidin-4-ol;4-Benzyl-4-hydroxypiperidine;51135-96-7;4-Benzyl-4-piperidinol;4-Piperidinol, 4-benzyl-;4-Piperidinol, 4-(phenylmethyl)-;EINECS 257-003-7;NSC 83237;LR6D2NEF7K;MLS000737111;4-(phenylmethyl)-4-piperidinol;NSC-83237;SMR000459179;NSC83237;4benzyl-piperidin-4-ol;Maybridge3_002978;UNII-LR6D2NEF7K;4-benzyl-piperidin-4-ol;4-Benzyl-4-piperidinol #;4-benzyl-4-hydroxypiperidin;4-(benzyl)-piperidin-4-ol;4-hydroxy-4-benzylpiperadine;4-hydroxy-4-benzylpiperidine;Piperidin-4-ol, 4-benzyl-;MLS000859000;SCHEMBL613290;4-benzyl-4-hydroxy piperidine;4-benzyl-4-hydroxy-piperidine;4-hydroxy-4-benzyl piperidine;4-hydroxy-4-benzyl-piperidine;CHEMBL1409838;DTXSID40199164;Piperidin-4-ol, 4-phenylmethyl-;HMS1439H08;HMS2807P22;HMS3451N04;4-Benzyl-4-Hydroxypiperidine, 95%;MFCD00023147;AKOS009156429;CCG-151413;LF-0518;SB41528;IDI1_014365;NCGC00246677-01;NCGC00246677-02;AC-15886;LS-116839;FT-0617646;EN300-256982;A828459;Z1020761056

Chemical Property of 4-Benzylpiperidin-4-ol

Chemical Property:

• Appearance/Colour: yellow to brownish crystalline powder
• Vapor Pressure: 7.37E-05mmHg at 25°C
• Melting Point: 80-85 °C
• Refractive Index: 1.5212 (estimate)
• Boiling Point: 329 °C at 760 mmHg
• PKA: 14.94±0.20(Predicted)
• Flash Point: 128.4 °C
• PSA: 32.26000
• Density: 1.085g/cm³
• LogP: 1.67240
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 191.131014166
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

4-BENZYL-4-HYDROXYPIPERIDINE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): XiXn
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1(CC2=CC=CC=C2)O
• Uses: It is a building block used for the synthesis of various compounds, having therapeutic properties, such as synthesis of 4-Benzimidazolyl-piperidinylcarbonyl-piperidine analogs as histamine H3 antagonists.

Technology Process of 4-Benzylpiperidin-4-ol

There total 8 articles about 4-Benzylpiperidin-4-ol 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:

tert-butyl 4-benzyl-4-hydroxypiperidine-1-carboxylate (191327-87-4) → 4-benzyl-4-hydroxypiperidine (51135-96-7)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; water;

DOI:10.1016/j.bmcl.2014.09.089

Reference yield:

1-phenylmethyl-4-piperidone (3612-20-2) + benzyl bromide (100-39-0) → 4-benzyl-4-hydroxypiperidine (51135-96-7)

Guidance literature:

With ammonium hydroxide; magnesium; acetic acid; palladium; In diethyl ether; ethanol;

Reference yield:

1-benzyl-4-piperidine + benzyl bromide (100-39-0) → 4-benzyl-4-hydroxypiperidine (51135-96-7)

Guidance literature:

With ammonium hydroxide; magnesium; acetic acid; palladium; In diethyl ether; ethanol;

upstream raw materials:

phenylmagnesium bromide

N-tert-butyloxycarbonylpiperidin-4-one

1-phenylmethyl-4-piperidone

benzyl bromide

Downstream raw materials:

2-(4-Benzyl-4-hydroxy-piperidin-1-yl)-1-(4-triisopropylsilanyloxy-phenyl)-ethanone

2-(4-Benzyl-4-hydroxypiperidino)-1-(4-(triisopropylsilyloxy)phenyl)-1-propanone

2-(4-Benzyl-4-hydroxy-piperidin-1-yl)-1-(4-triisopropylsilanyloxy-phenyl)-butan-1-one

2-(4-Benzyl-4-hydroxy-piperidin-1-yl)-1-(4-triisopropylsilanyloxy-phenyl)-pentan-1-one

Refernces

• 1、 Lim, Chae Jo,Oh, Seung Ae,Lee, Byung Ho,Oh, Kwang-Seok,Yi, Kyu Yang. "Synthesis and SAR of thieno[3,2-b]pyridinyl urea derivatives as urotensin-II receptor antagonists". . p. 5832 - 5835. Retrieved 2015/01/08.
• 2、 Van Niel, Monique B.,Collins, Ian,Beer, Margaret S.,Broughton, Howard B.,Cheng, Susan K. F.,Goodacre, Simon C.,Heald, Anne,Locker, Karen L.,MacLeod, Angus M.,Morrison, Denise,Moyes, Christopher R.,O'Connor, Desmond,Pike, Andrew,Rowley, Michael,Russell, Michael G. N.,Sohal, Baibinder,Stanton, Josephine A.,Thomas, Steven,Verrier, Hugh,Watt, Alan P.,Castro, José L.. "Fluorination of 3-(3-(piperidin-1-yl)propyl)indoles and 3-(3-(piperazin- 1-yl)propyl)indoles gives selective human 5-HT(1D) receptor ligands with improved pharmacokinetic profiles". . p. 2087 - 2104. Retrieved 2007/10/03.