Methyl 2,6-dichlorophenylacetate

Base Information

• Chemical Name: Methyl 2,6-dichlorophenylacetate
• CAS No.: 54551-83-6
• Molecular Formula: C9H8 Cl2 O2
• Molecular Weight: 219.067
• Hs Code.: 2916399090
• European Community (EC) Number: 259-221-8
• UNII: 99XZ264AEE
• DSSTox Substance ID: DTXSID10202977
• Nikkaji Number: J266.913G
• Wikidata: Q83076337
• Mol file: 54551-83-6.mol

Synonyms:54551-83-6;methyl 2-(2,6-dichlorophenyl)acetate;Methyl 2,6-dichlorophenylacetate;2,6-Dichlorophenylacetic Acid Methyl Ester;Guanfacine Methyl Ester Impurity;Benzeneacetic acid, 2,6-dichloro-, methyl ester;99XZ264AEE;EINECS 259-221-8;Methyl (2,6-Dichlorophenyl)acetate;(2,6-dichlorophenyl)acetic acid methyl ester;2,6-Dichloro-benzeneacetic Acid Methyl Ester;UNII-99XZ264AEE;SCHEMBL3743731;DTXSID10202977;FCWRUYPZZJPCCG-UHFFFAOYSA-N;methyl2-(2,6-dichlorophenyl)acetate;MFCD00191640;AKOS017259732;CS-W013155;AS-62597;2,6-dichloro-phenylacetic acid methyl ester;2,6-Dichlorobenzeneacetic acid methyl ester;D2328;FT-0640258;2,6-Dichloro phenyl acetic acid methyl ester;A50723

Chemical Property of Methyl 2,6-dichlorophenylacetate

Chemical Property:

• Vapor Pressure: 0.00613mmHg at 25°C
• Refractive Index: 1.54-1.542
• Boiling Point: 272.3°C at 760 mmHg
• Flash Point: 111.5°C
• PSA: 26.30000
• Density: 1.33
• LogP: 2.70890
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 217.9901349
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,6-DichlorophenylaceticAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=C(C=CC=C1Cl)Cl
• Uses: Intermediate in the preparation of Guanfacine

Technology Process of Methyl 2,6-dichlorophenylacetate

There total 5 articles about Methyl 2,6-dichlorophenylacetate 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%

methanol (67-56-1) + 2-(2,6-dichlorophenyl)acetic acid (6575-24-2) → methyl 2-(2,6-dichlorophenyl)acetate (54551-83-6)

Guidance literature:

With sulfuric acid;

Reference yield: 75.0%

methanol (67-56-1) + 2-Diazo-1-(2,6-dichloro-phenyl)-ethanone → methyl 2-(2,6-dichlorophenyl)acetate (54551-83-6)

Guidance literature:

With silver benzoate; triethylamine; for 0.0333333h; Ambient temperature;

DOI:10.1016/0040-4039(96)00130-X

Reference yield:

2-(2,6-dichlorophenyl)acetic acid (6575-24-2) → methyl 2-(2,6-dichlorophenyl)acetate (54551-83-6)

Guidance literature:

upstream raw materials:

methanol

2-(2,6-dichlorophenyl)acetic acid

2,6-dichlorophenylacetonitrile

Downstream raw materials:

N-[2-(2,6-Dichloro-phenyl)-acetyl]-N'-(2-hydroxy-ethyl)-guanidine

N-[2-(2,6-Dichloro-phenyl)-acetyl]-N'-(2-methoxy-ethyl)-guanidine

guanfacine

N-[2-(2,6-Dichloro-phenyl)-acetyl]-N'-isopropyl-guanidine

Refernces

• 1、 -. "ANTI-HCMV COMPOSITIONS AND METHODS". Page/Page column 84; 85. . Retrieved 2016/06/06.
• 2、 -. "1,2-disubstituted-6-oxo-3-phenyl-piperidine-3-carboxamides and combinatorial libraries thereof". . . Retrieved 2008/06/13.