Ethyl 2-(2-chloropyridin-3-yl)acetate

Base Information

• Chemical Name: Ethyl 2-(2-chloropyridin-3-yl)acetate
• CAS No.: 164464-60-2
• Molecular Formula: C9H10ClNO2
• Molecular Weight: 199.637
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00571548
• Nikkaji Number: J963.650A
• Wikidata: Q82459652
• Mol file: 164464-60-2.mol

Synonyms:164464-60-2;ethyl 2-(2-chloropyridin-3-yl)acetate;ETHYL 2-CHLOROPYRIDINE-3-ACETATE;3-PYRIDINEACETIC ACID, 2-CHLORO-, ETHYL ESTER;ethyl (2-chloropyridin-3-yl)acetate;MFCD17214401;SCHEMBL3587106;Ethyl 2-chloropyridine-3-...;DTXSID00571548;BOAKAIDVPSXXTO-UHFFFAOYSA-N;Ethyl (2-Chloro-3-pyridyl)acetate;AKOS015949406;ethyl2-(2-chloropyridin-3-yl)acetate;PB27136;AS-33731;SY097610;2-Chloro-3-pyridineacetic Acid Ethyl Ester;CS-0049541;A882451;W-205935

Chemical Property of Ethyl 2-(2-chloropyridin-3-yl)acetate

Chemical Property:

• Boiling Point: 285.8±25.0 °C(Predicted)
• PKA: 0.14±0.10(Predicted)
• PSA: 39.19000
• Density: 1.217±0.06 g/cm3(Predicted)
• LogP: 1.84060
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 199.0400063
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-Chloropyridine-3-acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=C(N=CC=C1)Cl

Technology Process of Ethyl 2-(2-chloropyridin-3-yl)acetate

There total 6 articles about Ethyl 2-(2-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: 99.0%

2-Chloro-3-pyridineacetic Acid 1-Oxide Ethyl Ester (164464-54-4) → ethyl 2-(2-chloropyridin-3-yl)acetate (164464-60-2)

Guidance literature:

With phosphorus tribromide; In N,N-dimethyl-formamide; for 1h; Ambient temperature;

DOI:10.1055/s-1997-1289

Reference yield: 15.0%

3-(2-ethoxy-2-oxoethyl)pyridin-1-ium-1-olate (3423-47-0) → ethyl (6-chloro-pyridin-3-yl)acetate (197376-47-9) + ethyl 2-(2-chloropyridin-3-yl)acetate (164464-60-2) + ethyl 4-chloro-3-pyridylacetate (197376-44-6)

Guidance literature:

With trichlorophosphate; for 3h; Title compound not separated from byproducts; Heating;

DOI:10.1055/s-1997-1289

Reference yield:

3-(2-ethoxy-2-oxoethyl)pyridin-1-ium-1-olate (3423-47-0) + ethyl acetate n-hexane → ethyl 2-(2-chloropyridin-3-yl)acetate (164464-60-2)

Guidance literature:

With trichlorophosphate;

upstream raw materials:

3-(2-ethoxy-2-oxoethyl)pyridin-1-ium-1-olate

2-Chloro-3-pyridineacetic Acid 1-Oxide Ethyl Ester

pyridin-3-yl-acetic acid ethyl ester

8-methoxy-4-oxo-1,4-dihydro-quinoline-2-carboxylic acid ethyl ester

Downstream raw materials:

C₁₈H₁₈N₂O₃S

C₃₀H₃₆F₃N₅O₄S

2-[(4-methoxybenzyl)amino]thieno[2,3-b]pyridine-3-carboxylic acid

1-methyl-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one