6-Chloropyridin-3-yl acetate

Base Information

• Chemical Name: 6-Chloropyridin-3-yl acetate
• CAS No.: 188057-24-1
• Molecular Formula: C7H6ClNO2
• Molecular Weight: 171.583
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80356133
• Nikkaji Number: J1.857.037H
• Wikidata: Q82135324
• Mol file: 188057-24-1.mol

Synonyms:6-Chloropyridin-3-yl acetate;188057-24-1;6-chloro-3-pyridinyl acetate;(6-chloropyridin-3-yl) acetate;5-Acetyloxy-2-chloropyridine;3-Pyridinol, 6-chloro-, 3-acetate;6-Chloropyridin-3-ylacetate;5-acetoxy-2-chloropyridine;SCHEMBL1887370;DTXSID80356133;NWKLWOGUAXAQGW-UHFFFAOYSA-N;(6-chloranylpyridin-3-yl) ethanoate;AKOS006294701;SB54166;acetic acid (6-chloro-3-pyridinyl) ester;FT-0768156;A813206;AN-584/42126139

Chemical Property of 6-Chloropyridin-3-yl acetate

Chemical Property:

• Vapor Pressure: 0.0123mmHg at 25°C
• Boiling Point: 260.4°C at 760 mmHg
• Flash Point: 111.3°C
• PSA: 39.19000
• Density: 1.297g/cm³
• LogP: 1.66030
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 171.0087061
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

95% ^*data from raw suppliers

6-Chloropyridin-3-ylacetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CN=C(C=C1)Cl

Technology Process of 6-Chloropyridin-3-yl acetate

There total 5 articles about 6-Chloropyridin-3-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: 62.0%

6-Chloro-pyridin-3-ylamine (5350-93-6) + acetic anhydride (108-24-7) → 5-Acetoxy-2-chloropyridine (188057-24-1)

Guidance literature:

6-Chloro-pyridin-3-ylamine; With nitrous acid isobutyl ester; boron trifluoride diethyl etherate; In 1,2-dimethoxyethane; dichloromethane; at 0 ℃;

acetic anhydride; at 75 ℃;

DOI:10.1016/S0040-4039(02)02655-2

Reference yield: 62.0%

acetic anhydride (108-24-7) + 2-chloropyridine-5-yldiazonium tetrafluoroborate → 5-Acetoxy-2-chloropyridine (188057-24-1)

Guidance literature:

at 75 ℃; for 2.5h;

Reference yield: 60.0%

→ 5-Acetoxy-2-chloropyridine (188057-24-1)

Guidance literature:

upstream raw materials:

6-Chloro-pyridin-3-ylamine

acetic anhydride

isopentyl nitrite

acetic acid

Downstream raw materials:

(R)-5-(2-azetidinylmethoxy)-2-chloropyridine p-toluenesulfonic acid salt

(E)-4-(6-Chloro-2-iodo-pyridin-3-yloxy)-4-cyclohexyl-but-2-enoic acid methyl ester

(E)-4-(6-Chloro-2-iodo-pyridin-3-yloxy)-4-phenyl-but-2-enoic acid methyl ester

6-chloro-2-iodopyridine-3-ol

Refernces

• 1、 -. "TRIAZOLO-PYRIDINES AS ANTI-INFLAMMATORY COMPOUNDS". Page 85. . Retrieved 2010/02/08.
• 2、 Mathes, Brian M.,Filla, Sandra A.. "A general method for the preparation of 2,3,5-trisubstituted-furo[3,2-b]pyridines". . p. 725 - 728. Retrieved 2007/10/03.