5-Bromo-3-methyl-2-pyridinecarbaldehyde

Base Information

• Chemical Name: 5-Bromo-3-methyl-2-pyridinecarbaldehyde
• CAS No.: 376587-53-0
• Molecular Formula: C₇H₆BrNO
• Molecular Weight: 200.035
• Hs Code.: 2933399090
• European Community (EC) Number: 809-963-9
• DSSTox Substance ID: DTXSID00477738
• Wikidata: Q82310624
• Mol file: 376587-53-0.mol

Synonyms:376587-53-0;5-Bromo-3-methyl-2-pyridinecarbaldehyde;5-bromo-3-methylpyridine-2-carbaldehyde;5-Bromo-2-formyl-3-methylpyridine;5-Bromo-3-methylpicolinaldehyde;5-Bromo-3-methylpyridine-2-carboxaldehyde;2-Pyridinecarboxaldehyde, 5-bromo-3-methyl-;5-Bromo-3-methyl-pyridine-2-carbaldehyde;MFCD07776420;5-bromo-3methylpicolinaldehyde;SCHEMBL1912446;DTXSID00477738;GLMJIYLGQMKLCL-UHFFFAOYSA-N;AMY17714;BQA58753;5-BROMO-2-FORMYL-3-PICOLINE;AKOS015891919;AB42359;3-Methyl-5-Bromopyridine-2-Carbaldehyde;AS-63990;SY067645;CS-0039842;FT-0649005;EN300-247864;J-516935;Z1269148473

Chemical Property of 5-Bromo-3-methyl-2-pyridinecarbaldehyde

Chemical Property:

• Vapor Pressure: 0.012mmHg at 25°C
• Refractive Index: 1.604
• Boiling Point: 260.929 °C at 760 mmHg
• PKA: 1.86±0.10(Predicted)
• Flash Point: 111.606 °C
• PSA: 29.96000
• Density: 1.578 g/cm³
• LogP: 1.96500
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 198.96328
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-3-methylpyridine-2-carboxaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CN=C1C=O)Br

Technology Process of 5-Bromo-3-methyl-2-pyridinecarbaldehyde

There total 6 articles about 5-Bromo-3-methyl-2-pyridinecarbaldehyde 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: 80.0%

5-bromo-2-iodo-3-methylpyridine (376587-52-9) → 5-bromo-3-methylpyridine-2-carbaldehyde (376587-53-0)

Guidance literature:

In tetrahydrofuran; N,N-dimethyl-formamide;

Reference yield: 80.0%

iPrMgCl + 5-bromo-2-iodo-3-methylpyridine (376587-52-9) → 5-bromo-3-methylpyridine-2-carbaldehyde (376587-53-0)

Guidance literature:

In tetrahydrofuran; N,N-dimethyl-formamide;

Reference yield: 52.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 5-bromo-2-iodo-3-methylpyridine (376587-52-9) → 5-bromo-3-methylpyridine-2-carbaldehyde (376587-53-0)

Guidance literature:

5-bromo-2-iodo-3-methylpyridine; With isopropylmagnesium chloride; In tetrahydrofuran; at -15 ℃; for 2h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; at -15 - 20 ℃; for 1h; Inert atmosphere;

upstream raw materials:

5-bromo-2-iodo-3-methylpyridine

N,N-dimethyl-formamide

2,5-dibromo-3-methylpyridine

Refernces

• 1、 -. "HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES". Page/Page column 140; 141. . Retrieved 2015/11/09.
• 2、 -. "NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS". Page/Page column 97. . Retrieved 2010/09/07.