3-(Methoxymethyl)piperidine

Base Information

• Chemical Name: 3-(Methoxymethyl)piperidine
• CAS No.: 116574-72-2
• Molecular Formula: C7H15NO
• Molecular Weight: 129.202
• Hs Code.: 2933399090
• European Community (EC) Number: 821-662-4
• DSSTox Substance ID: DTXSID80589368
• Mol file: 116574-72-2.mol

Synonyms:3-(methoxymethyl)piperidine;116574-72-2;Piperidine, 3-(methoxymethyl)-;3-Methoxymethyl-piperidine;(3R)-3-(methoxymethyl)piperidine;3-Methoxymethylpiperidine;863635-98-7;SCHEMBL1088927;SCHEMBL13088413;DTXSID80589368;ZVNNEPYIBDITIW-UHFFFAOYSA-N;MFCD06248040;STL068232;AKOS000171041;AKOS016341136;AM90790;MCULE-6787404650;SB41929;3-(Methoxymethyl)piperidine, AldrichCPR;AS-46979;CS-0217524;EN300-76185;F11112;F2158-0917;Z317037142

Chemical Property of 3-(Methoxymethyl)piperidine

Chemical Property:

• Vapor Pressure: 1.67mmHg at 25°C
• Boiling Point: 167.8oC at 760 mmHg
• Flash Point: 60.1oC
• PSA: 21.26000
• Density: 0.882g/cm3
• LogP: 0.96120
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 129.115364102
• Heavy Atom Count: 9
• Complexity: 75.3

Purity/Quality:

97% ^*data from raw suppliers

3-(Methoxymethyl)piperidine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC1CCCNC1

Technology Process of 3-(Methoxymethyl)piperidine

There total 2 articles about 3-(Methoxymethyl)piperidine 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: 86.0%

t-butyl 3-(methoxymethyl)piperidine-1-carboxylate (868065-26-3) → 3-(methoxymethyl)piperidine (116574-72-2)

Guidance literature:

t-butyl 3-(methoxymethyl)piperidine-1-carboxylate; With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 2h;

With sodium hydroxide; In dichloromethane; water;

Reference yield:

(±)-tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate (116574-71-1) → 3-(methoxymethyl)piperidine (116574-72-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydride / tetrahydrofuran / 0.25 h / 0 °C / Inert atmosphere

2: trifluoroacetic acid / dichloromethane / 16 h / 20 °C

With sodium hydride; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1002/chem.201204438

Reference yield: 28.0%

3-(methoxymethyl)piperidine (116574-72-2) + N-[(3,5-difluoropyridin-2-yl)methyl]-4-[(4-oxopiperidin-1-yl)carbonyl]benzamide + trifluoroacetic acid (76-05-1) → N-[(3,5-difluoropyridin-2-yl)methyl]-4-{[3-(methoxymethyl)-1,4'-bipiperidin-1'-yl]carbonyl}benzamide trifluoroacetic acid salt

Guidance literature:

3-(methoxymethyl)piperidine; N-[(3,5-difluoropyridin-2-yl)methyl]-4-[(4-oxopiperidin-1-yl)carbonyl]benzamide; With titanium tetrachloride; In dichloromethane; at 20 ℃;

With methanol; sodium cyanoborohydride; In dichloromethane; for 0.25h;

trifluoroacetic acid; In water; acetonitrile;

upstream raw materials:

t-butyl 3-(methoxymethyl)piperidine-1-carboxylate

(±)-tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate