3-(Bromomethyl)-5-methylpyridine

Base Information

• Chemical Name: 3-(Bromomethyl)-5-methylpyridine
• CAS No.: 120276-47-3
• Molecular Formula: C7H8BrN
• Molecular Weight: 186.051
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30474851
• Nikkaji Number: J3.446.148A
• Wikidata: Q72447396
• Mol file: 120276-47-3.mol

Synonyms:3-(BROMOMETHYL)-5-METHYLPYRIDINE;120276-47-3;3-Bromomethyl-5-methylpyridine;Pyridine, 3-(bromomethyl)-5-methyl-;3-Methyl-5-bromomethylpyridine;SCHEMBL4162634;DTXSID30474851;CZALOULBSKSWNH-UHFFFAOYSA-N;VEA27647;AKOS006324517;SB54439;EN300-623965

Chemical Property of 3-(Bromomethyl)-5-methylpyridine

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 0.045mmHg at 25°C
• Melting Point: 245.332 °C at 760 mmHg
• Refractive Index: 1.565
• Boiling Point: 102.173 °C
• Flash Point: 102℃
• PSA: 12.89000
• Density: 1.448
• LogP: 2.28490
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 184.98401
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

99.9% ^*data from raw suppliers

3-Bromomethyl-5-methylpyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi,F
• Hazard Codes: C,Xi,F

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CN=C1)CBr
• Uses: 3-Bromomethyl-5-methylpyridine is an intermediate used to prepare redox-active 5-lipoxygenase inhibitors.

Technology Process of 3-(Bromomethyl)-5-methylpyridine

There total 2 articles about 3-(Bromomethyl)-5-methylpyridine 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:

3,5-Lutidine (591-22-0) → 3-(bromomethyl)-5-methylpyridine (120276-47-3)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane;

DOI:10.1021/jm00107a023

Reference yield:

5-methylnicotinic acid methyl ester (29681-45-6) → 3-(bromomethyl)-5-methylpyridine (120276-47-3)

Guidance literature:

5-methylnicotinic acid methyl ester; With lithium aluminium tetrahydride; In tetrahydrofuran; at -10 - 20 ℃;

With hydrogen bromide; In water; Reflux;

Reference yield: 70.0%

5-(2,3,6-trifluorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo-[3,4-d]pyrimidine-6(7H)-thione (1384973-03-8) + 3-(bromomethyl)-5-methylpyridine (120276-47-3) → C19H15F3N6S (1384970-94-8)

Guidance literature:

With potassium carbonate; In acetone; for 3h; Reflux;

upstream raw materials:

3,5-Lutidine

5-methylnicotinic acid methyl ester

Downstream raw materials:

rupatadine

3-bromo-5-methylpyridine hydrochloride

C₁₉H₁₅F₃N₆S

Refernces

• 1、 -. "BENZOCYCLOHEPTANETHIOPHENE DERIVATIVES FOR ANTI-ALLERGIC REACTIONS". Paragraph 0217-0218. . Retrieved 2014/05/20.
• 2、 -. "NOVEL CRYSTALLINE FORM OF RUPATADINE FREE BASE". Page/Page column 2. . Retrieved 2009/08/16.