Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-, methyl ester

Base Information

• Chemical Name: Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-, methyl ester
• CAS No.: 60825-26-5
• Molecular Formula: C8H6 Cl3 N O3
• Molecular Weight: 270.5
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID8069432
• Nikkaji Number: J313.196C
• Wikidata: Q81996314
• Mol file: 60825-26-5.mol

Synonyms:60825-26-5;Triclopyr methyl ester;Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-, methyl ester;Triclopyr-methyl;methyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate;TRICLOPYR METHYL ESTERSUFFIX ADDED TO CAS TO DIFFERENTIATE FROM NON-DEUTERATED/DERIVATIZED COMPOUND.;((3,5,6-Trichloro-2-pyridyl)oxy)acetic acid, methyl ester;METHYL 2-[(3,5,6-TRICHLOROPYRIDIN-2-YL)OXY]ACETATE;Acetic acid, ((3,5,6-trichloro-2-pyridinyl)oxy)-, methyl ester;Acetic acid, 2-((3,5,6-trichloro-2-pyridinyl)oxy)-, methyl ester;C8H6Cl3NO3;SCHEMBL3232675;C8-H6-Cl3-N-O3;DTXSID8069432;methyl 3,5,6-trichloro-2-pyridinyloxyacetate;3,5,6-trichloro-2-pyridoxyacetic acid, methyl ester;Methyl [(3,5,6-trichloro-2-pyridinyl)oxy]acetate #;[(3,5,6-Trichloropyridin-2-yl)oxy]acetic acid methyl ester

Chemical Property of Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-, methyl ester

Chemical Property:

• Vapor Pressure: 0.000499mmHg at 25°C
• Boiling Point: 313.3°C at 760 mmHg
• Flash Point: 143.3°C
• PSA: 48.42000
• Density: 1.511g/cm³
• LogP: 2.59360
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 268.941326
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl

Technology Process of Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-, methyl ester

There total 5 articles about Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-, methyl ester 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:

3,5,6-trichloropyridin-2 ol (6515-38-4) + methyl chloroacetate (96-34-4) → methyl 2-[(3,5,6-trichloropyridin-2-yl)oxy]acetate (60825-26-5)

Guidance literature:

With potassium carbonate; In acetonitrile; at 65 ℃; Inert atmosphere;

DOI:10.3762/bjoc.16.25

Reference yield:

methyl chloroacetate (96-34-4) + sodium salt of 3,5,6-trichloropyridine-2-ol → methyl 2-[(3,5,6-trichloropyridin-2-yl)oxy]acetate (60825-26-5)

Guidance literature:

In N,N-dimethyl-formamide; at 75 ℃; for 1.5h; Solvent; Concentration;

Reference yield:

2,3,5,6-tetrachloropyridine (2402-79-1) + methyl chloroacetate (96-34-4) → methyl 2-[(3,5,6-trichloropyridin-2-yl)oxy]acetate (60825-26-5)

Guidance literature:

2,3,5,6-tetrachloropyridine; With water; sodium hydroxide; at 132 ℃; for 2.5h; Autoclave;

methyl chloroacetate; With N,N-dimethyl-formamide; at 70 ℃; for 10h; Temperature;

upstream raw materials:

methyl chloroacetate

2,3,5,6-tetrachloropyridine

3,5,6-trichloropyridin-2 ol

Downstream raw materials:

triclopyr acid

triclopyr butoxyethyl ester

Refernces

• 1、 -. "Method for preparing sucrroxypyr-butoxyethyl ester by aqueous phase synthesis method (by machine translation)". Paragraph 0016-0020; 0025-0028. . Retrieved 2019/10/01.
• 2、 -. "Method of preparing alkyl halopyridinyloxyalkanoates". . . Retrieved 2008/06/13.