(3-Methylpiperidin-3-yl)methanol

Base Information

• Chemical Name: (3-Methylpiperidin-3-yl)methanol
• CAS No.: 221298-00-6
• Molecular Formula: C7H15NO
• Molecular Weight: 129.202
• Hs Code.: 2933399090
• European Community (EC) Number: 832-113-3
• DSSTox Substance ID: DTXSID60598913
• Mol file: 221298-00-6.mol

Synonyms:(3-Methylpiperidin-3-yl)methanol;221298-00-6;3-(HYDROXYMETHYL)-3-METHYLPIPERIDINE;3-Hydroxymethyl-3-methylpiperidine;SCHEMBL2897093;DTXSID60598913;DMGCHHGYZKQCNX-UHFFFAOYSA-N;WIA29800;MFCD09055357;AKOS006280784;PB29598;(3-METHYL-3-PIPERIDINYL)METHANOL;AS-50607;DB-353393;CS-0054669;(3-Methyl-3-piperidinyl)methanol, AldrichCPR;EN300-116424;P10696;Z1198184762

Chemical Property of (3-Methylpiperidin-3-yl)methanol

Chemical Property:

• Vapor Pressure: 0.0787mmHg at 25°C
• Boiling Point: 200.8oC at 760 mmHg
• Flash Point: 76.7oC
• PSA: 32.26000
• Density: 0.926g/cm3
• LogP: 0.69720
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 129.115364102
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

NLT 98% ^*data from raw suppliers

(3-methylpiperidin-3-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCNC1)CO

Technology Process of (3-Methylpiperidin-3-yl)methanol

There total 3 articles about (3-Methylpiperidin-3-yl)methanol 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: 49.9%

3-methylpiperidine-3-carboxylic acid (116140-49-9) → (3-methylpiperidin-3-yl)methanol (221298-00-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 60 ℃; Inert atmosphere;

Reference yield:

3-methylpiperidine-3-carboxylic acid ethyl ester (170843-43-3,278789-72-3) → (3-methylpiperidin-3-yl)methanol (221298-00-6)

Guidance literature:

3-methylpiperidine-3-carboxylic acid ethyl ester; With lithium aluminium tetrahydride; In tetrahydrofuran; at 18 - 25 ℃; for 15h;

With sodium hydroxide; ammonia; water; Rochelle's salt; In tetrahydrofuran; at -5 ℃; for 0.5h;

Reference yield:

→ (3-methylpiperidin-3-yl)methanol (221298-00-6)

Guidance literature:

upstream raw materials:

3-methylpiperidine-3-carboxylic acid ethyl ester

3-methylpiperidine-3-carboxylic acid

Downstream raw materials:

7-(3,4-dimethoxyphenyl)-2-((3-(methoxymethyl)-3-methylpiperidin-1-yl)methyl)-5-methylthieno[3,2-c]pyridin-4(5H)-one hydrochloride

tert-butyl 3-(hydroxymethyl)-3-methylpiperidine-1-carboxylate

7-(3,4-dimethoxyphenyl)-2-((3-(hydroxymethyl)-3-methylpiperidin-1-yl)methyl)-5-methylthieno[3,2-c]pyridin-4(5H)-one hydrochloride

Refernces

• 1、 -. "2-AMINOPYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2". Page/Page column 28. . Retrieved 2010/02/11.
• 2、 -. "2-aminopyridines as inhibitors of cyclooxygenase-2". . . Retrieved 2008/06/13.