54551-83-6

Basic information

• Product Name: 2,6-DICHLOROPHENYLACETIC ACID METHYL ESTER
• Synonyms: METHYL 2,6-DICHLOROPHENYLACETATE;2,6-DICHLOROPHENYLACETIC ACID METHYL ESTER;2,6-Dichlorobenzeneacetic acid methyl ester;Methyl 2,6-dichlorophenylacetate,99%;Guanfacine Methyl Ester Impurity
• CAS NO: 54551-83-6
• Molecular Formula: C₉H₈Cl₂O₂
• Molecular Weight: 219.06
• EINECS: 259-221-8
• Product Categories: Aromatic Esters;Aromatics;Intermediates
• Mol File: 54551-83-6.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 314.25°C (rough estimate)
• Flash Point: 111.5°C
• Appearance: Clear colorless/Liquid
• Density: 1.33
• Vapor Pressure: 0.00613mmHg at 25°C
• Refractive Index: 1.54-1.542
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
• CAS DataBase Reference: 2,6-DICHLOROPHENYLACETIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 2,6-DICHLOROPHENYLACETIC ACID METHYL ESTER(54551-83-6)
• EPA Substance Registry System: 2,6-DICHLOROPHENYLACETIC ACID METHYL ESTER(54551-83-6)

Safety Data

• Statements: 36/37/38
• Safety Statements: 24/25-36/37/39-26
• Hazardous Substances Data: 54551-83-6(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless liquid

Uses

Intermediate in the preparation of Guanfacine

InChI:InChI=1/C9H8Cl2O2/c1-13-9(12)5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3

Upstream product

• 67-56-1 methanol 
• 6575-24-2 2-(2,6-dichlorophenyl)acetic acid 
• 3215-64-3 2,6-dichlorophenylacetonitrile 

Downstream Products

• 138914-71-3 methyl 2-chloro-6-(4-methoxyphenoxy)phenylacetate 
• 185039-46-7 6-(2,6-dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one 
• 865756-07-6 6-(2,6-dichlorophenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one 
• 29110-48-3 guanfacine hydrochloride 
• 1588423-83-9 7-chloro-3-(2,6-dichlorophenyl)-1-ethyl-1,6-naphthyridin-2(1H)-one 
• 223687-87-4 N-(2,6-dichlorophenylacetyl)-N'-benzylguanidine 
• 1203555-33-2 methyl 2-(2,6-dichlorophenyl)acrylate 
• 710324-34-8 2-(2,6-Dichloro-phenyl)-3-(2,4-dichloro-pyrimidin-5-yl)-propionic acid methyl ester 
• 30595-79-0 2-(2,6-dichlorophenyl)ethan-1-ol 
• 138914-80-4 2-chloro-(4-carboxyphenoxy)phenylacetic acid 
• 138914-72-4 2-chloro-6-(4-methoxyphenoxy)phenyl acetic acid 
• 29233-72-5 N-[2-(2,6-Dichloro-phenyl)-acetyl]-N'-isopropyl-guanidine 

Relevant articles and documents

Synthesis and bio-evaluation of natural butenolides-acrylate conjugates

A series of novel 3-aryl-4-hydroxy-2(5H) furanone-acrylate hybrids were designed and synthesized based on the natural butenolides and acrylates scaffolds. The structures of the prepared compounds were characterized by 1H-NMR, 13C-NMR and electrospray ionization mass spectrometry (ESI-MS), and the bioactivity of the target compounds against twelve phytopathogenic fungi was investigated. The preliminary in vitro antifungal activity screening showed that most of the target compounds had moderate inhibition on various pathogenic fungi at the concentration of 100 mg·L?1, and presented broad-spectrum antifungal activities. Further studies also indicated that compounds 7e and 7k still showed some inhibitory activity against Pestallozzia theae, Sclerotinia sclerotiorum and Gibberella zeae on rape plants at lower concentrations, which could be optimized as a secondary lead for further research.

Double-stranded supramolecular assembly through salt bridge formation between rigid and flexible amidine and carboxylic acid strands

(Chemical Equation Presented) A series of monomeric strands consisting of m-terphenyl backbones with chiral rigid C-linked (3) and flexible N-linked (5) formamidines and achiral carboxylic acid (4) and flexible carboxymethyl (6) residues were synthesized, and their duplex formations through amidinium-carboxylate salt bridges were investigated by NMR, circular dichroism (CD), and UV-visible spectroscopies. The salt bridge-derived duplex formation was largely dependent on the structures of the formamidine and carboxylic acid strands, and the C-linked formamidine strand 3 formed a more stable duplex with the complementary carboxylic acid strands (4 and 6) than did the flexibleN-linked formamidine strand 5. The single crystal X-ray analysis revealed that the duplex 5·4 has a skewed right-handed double helical structure. A complementary duplex dimer was also synthesized from the dimers of 5 and 4 joined by diacetylene linkers. Variable-temperature CD measurements indicated that the duplex possesses a dynamic double helical structure resulting from the flexible N-linked formamidine units.

Inhibitors of α4 mediated cell adhesion

The present invention relates to a pharmaceutical composition comprising as an active ingredient a compound of formula (I), wherein Ring A is an aromatic or a heterocyclic ring; Q is a bond, carbonyl, lower alkylene, lower alkenylene, —O-(lower alkylene)-, etc.; n is 0, 1 or 2; Z is oxygen or sulfur, W is oxygen, sulfur, —CH═CH—, —NH— or —N═CH—; R1, R2and R3are the same or different and are hydrogen, halogen, hydroxyl, a substituted or unsubstituted lower alkyl group, a substituted or unsubstituted lower alkoxy group, a substituted or unsubstituted amino group, etc.; R4is tetrazolyl, carboxyl group, amide or ester; R5is hydrogen, nitro, amino, hydroxyl, lower alkanoyl, lower alkyl etc.; R6is selected from (a) a substituted or unsubstituted phenyl group, (b) a substituted or unsubstituted pyridyl group, (c) a substituted or unsubstituted thienyl group, (d) a substituted or unsubstituted benzofuranyl group, etc.; or a pharmaceutically acceptable salt thereof.