2-Acetylamino-5-bromo-3-methylpyridine

Base Information

• Chemical Name: 2-Acetylamino-5-bromo-3-methylpyridine
• CAS No.: 142404-81-7
• Molecular Formula: C8H9BrN2O
• Molecular Weight: 229.07
• Hs Code.: 29333990
• European Community (EC) Number: 622-529-1
• DSSTox Substance ID: DTXSID50358543
• Nikkaji Number: J454.767E
• Wikidata: Q72434518
• ChEMBL ID: CHEMBL4955259
• Mol file: 142404-81-7.mol

Synonyms:2-Acetylamino-5-bromo-3-methylpyridine;142404-81-7;N-(5-bromo-3-methylpyridin-2-yl)acetamide;N-(5-bromo-3-methyl-pyridin-2-yl)-acetamide;N-(5-bromo-3-methyl-2-pyridinyl)acetamide;SCHEMBL760353;CHEMBL4955259;DTXSID50358543;HBZDMVSJHVZHKC-UHFFFAOYSA-N;MFCD01928227;2-acetamido-5-bromo-3-methylpyridine;AKOS015912165;BS-22836;CS-0204695;FT-0645307;2-Acetylamino-5-bromo-3-methylpyridine, 97%;AJ-333/13050139;J-007646

Chemical Property of 2-Acetylamino-5-bromo-3-methylpyridine

Chemical Property:

• Appearance/Colour: Colorless transparent liquid
• Vapor Pressure: 2.65E-05mmHg at 25°C
• Melting Point: 111-115 °C(lit.)
• Refractive Index: 1.606
• Boiling Point: 357.9 °C at 760 mmHg
• Flash Point: 170.2 °C
• PSA: 41.99000
• Density: 1.545 g/cm³
• LogP: 2.18390
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 227.98983
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

N-(5-Bromo-3-methylpyridin-2-yl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-41-43
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CN=C1NC(=O)C)Br

Technology Process of 2-Acetylamino-5-bromo-3-methylpyridine

There total 2 articles about 2-Acetylamino-5-bromo-3-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:

5-bromo-3-methyl-pyridin-2-ylamine (3430-21-5) + acetyl chloride (75-36-5) → N-(5-bromo-3-methyl-pyridin-2-yl)-acetamide (142404-81-7)

Guidance literature:

In N,N-dimethyl-aniline;

Reference yield:

acetic anhydride (108-24-7) + 5-bromo-3-methyl-pyridin-2-ylamine (3430-21-5) → N-(5-bromo-3-methyl-pyridin-2-yl)-acetamide (142404-81-7)

Guidance literature:

With acetic acid;

Reference yield: 40.0%

N-(5-bromo-3-methyl-pyridin-2-yl)-acetamide (142404-81-7) + 3-(2-chloro-4-trimethylstannanyl-phenylsulfanyl)-8-methyl-8-aza-bicyclo[3.2.1]octane → N-{5-[3-chloro-4-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-ylsulfanyl)-phenyl]-3-methyl-pyridin-2-yl}-acetamide

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; lithium chloride; In 1,4-dioxane; at 110 ℃; for 0.25h; microwave irradiation;

DOI:10.1016/j.tetlet.2006.10.015

upstream raw materials:

5-bromo-3-methyl-pyridin-2-ylamine

acetyl chloride

acetic anhydride

Refernces

• 1、 -. "Pyridine intermediates, useful in the synthesis of beta-adrenergic receptor agonists". . . Retrieved 2008/06/13.