4-(Bromomethyl)-4'-methyl-2,2'-bipyridine

Base Information

• Chemical Name: 4-(Bromomethyl)-4'-methyl-2,2'-bipyridine
• CAS No.: 81998-05-2
• Molecular Formula: C12H11 Br N2
• Molecular Weight: 263.13
• Hs Code.: 2933399090
• European Community (EC) Number: 811-803-8
• DSSTox Substance ID: DTXSID00449773
• Nikkaji Number: J385.185K
• Wikidata: Q82269288
• Mol file: 81998-05-2.mol

Synonyms:81998-05-2;4-(BROMOMETHYL)-4'-METHYL-2,2'-BIPYRIDINE;4-(Bromomethyl)-4'-methyl-2,2'-bipyridyl;2-[4-(bromomethyl)pyridin-2-yl]-4-methylpyridine;MFCD08275265;4-bromomethyl-4'-methyl-2,2'-bipyridine;2,2'-Bipyridine, 4-(bromomethyl)-4'-methyl-;YSWG810;SCHEMBL4741380;DTXSID00449773;HUJZHWSADZZJAB-UHFFFAOYSA-N;AKOS016007646;BS-18164;SY055823;B3986;T71358;A922690;J-400569;4-(Bromomethyl)-4 inverted exclamation mark -methyl-2,2 inverted exclamation mark -bipyridine

Chemical Property of 4-(Bromomethyl)-4'-methyl-2,2'-bipyridine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 74.0 to 78.0 °C
• Refractive Index: 1.606
• Boiling Point: 368.896°C at 760 mmHg
• PKA: 4.58±0.30(Predicted)
• Flash Point: 176.902°C
• PSA: 25.78000
• Density: 1.408g/cm³
• LogP: 3.34690
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: soluble in Methanol
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 262.01056
• Heavy Atom Count: 15
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

4-(Bromomethyl)-4'-methyl-2,2'-bipyridyl >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC=C1)C2=NC=CC(=C2)CBr

Technology Process of 4-(Bromomethyl)-4'-methyl-2,2'-bipyridine

There total 6 articles about 4-(Bromomethyl)-4'-methyl-2,2'-bipyridine 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: 98.0%

4-(hydroxymethyl)-4'-methyl-2,2'-bipyridine (81998-04-1) → 4-bromomethyl-4'-methyl-2,2'-bipyridine (81998-05-2)

Guidance literature:

With sulfuric acid; hydrogen bromide; Heating;

DOI:10.1002/1099-0682(200104)2001:4<1019::aid-ejic1019>3.3.co;2-y

Reference yield: 97.0%

4'-methyl-{4-(trimethylsilyl)methyl}-2,2'-bipyridine (329236-70-6) → 4-bromomethyl-4'-methyl-2,2'-bipyridine (81998-05-2)

Guidance literature:

With 1,2-dibromo-1,1,2,2-tetrafluoroethane; cesium fluoride; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

DOI:10.1021/acs.langmuir.6b04585

Reference yield: 40.0%

4,4'-dimethyl-2,2'-bipyridines (1134-35-6) → 4-bromomethyl-4'-methyl-2,2'-bipyridine (81998-05-2)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 3h; Heating;

DOI:10.1002/chem.200305408

upstream raw materials:

4,4'-dimethyl-2,2'-bipyridines

4-(hydroxymethyl)-4'-methyl-2,2'-bipyridine

4'-methyl-{4-(trimethylsilyl)methyl}-2,2'-bipyridine

4'-methyl-2,2'-bipyridine-4-carboxylaldehyde

Downstream raw materials:

1,2-bis(4′-methyl-[2,2′-bipyridin]-4-yl)ethane

N⁴,N^4'-Dimethyl-N⁴-(4'-methyl-[2,2']bipyridinyl-4-ylmethyl)-biphenyl-4,4'-diamine

(S)-2-(Benzhydrylidene-amino)-3-(4'-methyl-[2,2']bipyridinyl-4-yl)-propionic acid tert-butyl ester

[3-hydroxymethyl-5-(4'-methyl-[2,2']bipyridinyl-4-ylmethoxy)-phenyl]-methanol