Methyl 2-(3-bromopyridin-4-yl)acetate

Base Information

• Chemical Name: Methyl 2-(3-bromopyridin-4-yl)acetate
• CAS No.: 162615-12-5
• Molecular Formula: C8H8BrNO2
• Molecular Weight: 230.06
• Hs Code.: 2933399990
• European Community (EC) Number: 846-108-9
• DSSTox Substance ID: DTXSID80454704
• Wikidata: Q82276384
• Mol file: 162615-12-5.mol

Synonyms:Methyl 2-(3-bromopyridin-4-yl)acetate;162615-12-5;Methyl 2-(3-bromo-4-pyridyl)acetate;3-Bromo-4-pyridineacetic acid methyl ester;SCHEMBL20517285;DTXSID80454704;Methyl (3-bromo-4-pyridinyl)acetate;Methyl2-(3-bromopyridin-4-yl)acetate;CS-16692;CS-0102202;FT-0757460;D72052;EN300-187190;A1-18406

Chemical Property of Methyl 2-(3-bromopyridin-4-yl)acetate

Chemical Property:

• Boiling Point: 281.0±25.0 °C(Predicted)
• PKA: 2.87±0.18(Predicted)
• PSA: 39.19000
• Density: 1.517±0.06 g/cm3(Predicted)
• LogP: 1.55960
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 228.97384
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-(3-bromopyridin-4-yl)acetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=C(C=NC=C1)Br

Technology Process of Methyl 2-(3-bromopyridin-4-yl)acetate

There total 1 articles about Methyl 2-(3-bromopyridin-4-yl)acetate 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: 96.0%

carbonic acid dimethyl ester (616-38-6) + 3-Bromo-4-methylpyridin (3430-22-6) → methyl 2-(3-bromopyridin-4-yl)acetate (162615-12-5)

Guidance literature:

3-Bromo-4-methylpyridin; With lithium hexamethyldisilazane; In tetrahydrofuran; for 1.5h;

carbonic acid dimethyl ester; In tetrahydrofuran; for 15h;

DOI:10.1002/anie.201801109

Reference yield: 78.0%

methyl 2-(3-bromopyridin-4-yl)acetate (162615-12-5) → 2-(3-bromopyridin-4-yl)ethan-1-ol (229184-00-3)

Guidance literature:

With methanol; sodium tetrahydroborate; at 20 ℃; for 2h;

upstream raw materials:

carbonic acid dimethyl ester

3-Bromo-4-methylpyridin

Downstream raw materials:

2-(3-bromopyridin-4-yl)ethan-1-ol