4-Bromo-1-methylpiperidine

Base Information

• Chemical Name: 4-Bromo-1-methylpiperidine
• CAS No.: 76444-51-4
• Molecular Formula: C6H12BrN
• Molecular Weight: 178.072
• Hs Code.: 2933399990
• European Community (EC) Number: 632-597-4
• DSSTox Substance ID: DTXSID60467978
• Nikkaji Number: J2.286.944B
• Wikidata: Q82295064
• Mol file: 76444-51-4.mol

Synonyms:4-bromo-1-methylpiperidine;76444-51-4;N-Methyl-4-bromopiperidine;4-BROMO-N-METHYL PIPERIDINE;4-Bromo-N-methylpiperidine;MFCD00800245;Piperidine, 4-bromo-1-methyl-;SCHEMBL7073887;DTXSID60467978;RTEVQEDKZPFGNP-UHFFFAOYSA-N;AMY41829;BDA44451;AKOS006280939;SB41040;AS-15062;SY005026;CS-0054167;FT-0749716;P10148;EN300-1243204;A865483

Chemical Property of 4-Bromo-1-methylpiperidine

Chemical Property:

• Vapor Pressure: 1.187mmHg at 25°C
• Refractive Index: 1.505
• Boiling Point: 174.768 °C at 760 mmHg
• PKA: 7.88±0.10(Predicted)
• Flash Point: 59.498 °C
• Density: 1.35 g/cm³
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 177.01531
• Heavy Atom Count: 8
• Complexity: 66.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Bromo-N-methylpiperidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(CC1)Br

Technology Process of 4-Bromo-1-methylpiperidine

There total 1 articles about 4-Bromo-1-methylpiperidine 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:

N-methyl-4-hydroxypiperidine (106-52-5) → N-methyl-3,4-didehydropiperidine (694-55-3) + 4-Brom-N-methylazacyclohexan (76444-51-4)

Guidance literature:

With hydrogen bromide; for 16h; Yield given; Heating;

Reference yield: 85.0%

4-chloromethoxybenzene (623-12-1) + 4-Brom-N-methylazacyclohexan (76444-51-4) → N-methyl-4-(4-methoxyphenyl)piperidine (740789-86-0)

Guidance literature:

4-Brom-N-methylazacyclohexan; With chloro-trimethyl-silane; diisobutylaluminium hydride; magnesium; 1-Bromo-2-chloroethane; In tetrahydrofuran; at 40 ℃; Flow reactor;

With isopropylmagnesium chloride; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride; In tetrahydrofuran; at 20 ℃; for 0.166667h; Inert atmosphere; Flow reactor;

4-chloromethoxybenzene; With iron(III)-acetylacetonate; In tetrahydrofuran; at 25 ℃; for 0.333333h; Inert atmosphere; Flow reactor; Irradiation;

DOI:10.1002/anie.201906462

Reference yield: 3.0%

1-(3-bromophenyl)-1H-pyrazole (294877-33-1) + 4-Brom-N-methylazacyclohexan (76444-51-4) → C15H19N3

Guidance literature:

With (1,2-dimethoxyethane)dichloronickel(II); 2,2' -bipyridine-6-carboxamidine bishydrochloride; trifluoroacetic acid; sodium iodide; zinc; In N,N-dimethyl acetamide; at 60 ℃; for 18h; Inert atmosphere; Glovebox;

DOI:10.1002/chem.202102347

upstream raw materials:

N-methyl-4-hydroxypiperidine

Downstream raw materials:

N-methyl-4-(4-methoxyphenyl)piperidine

Refernces