2,3-Dichlorophenylacetic acid

Base Information

• Chemical Name: 2,3-Dichlorophenylacetic acid
• CAS No.: 10236-60-9
• Molecular Formula: C8H6Cl2O2
• Molecular Weight: 205.04
• Hs Code.: 29163990
• European Community (EC) Number: 642-603-7
• DSSTox Substance ID: DTXSID80144936
• Nikkaji Number: J81.475J
• Wikidata: Q72467250
• Mol file: 10236-60-9.mol

Synonyms:2,3-Dichlorophenylacetic acid;10236-60-9;2-(2,3-dichlorophenyl)acetic acid;Benzeneacetic acid, 2,3-dichloro-;2,3-Dichlorobenzeneacetic acid;MFCD01861393;2,3-DichlorophenylaceticAcid;(2,3-dichlorophenyl)acetic acid;SCHEMBL2547244;YWMXEUIQZOQESD-UHFFFAOYSA-;DTXSID80144936;YWMXEUIQZOQESD-UHFFFAOYSA-N;Benzeneacetic acid,?2,3-dichloro-?;AKOS011682894;AC-3024;AS-13419;SY003596;2,3-dichlorophenylacetic acid, AldrichCPR;CS-0089652;D2931;FT-0636659;EN300-83816;A800567;Z982129970;InChI=1/C8H6Cl2O2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4H2,(H,11,12)

Chemical Property of 2,3-Dichlorophenylacetic acid

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 7.9E-05mmHg at 25°C
• Melting Point: 130-135 ºC
• Boiling Point: 328 °C at 760 mmHg
• PKA: 3.87±0.10(Predicted)
• Flash Point: 152.1 °C
• PSA: 37.30000
• Density: 1.456 g/cm³
• LogP: 2.62050
• Solubility.: soluble in Methanol
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.9744848
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

98.0% Min ^*data from raw suppliers

2,3-Dichlorophenylacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-41-22
• Safety Statements: 37/39-26-39-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3-Dichlorophenylacetic acid

There total 8 articles about 2,3-Dichlorophenylacetic acid 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:

2,3-dichlorophenylacetonitrile (3218-45-9) → (2,3-dichlorophenyl)acetic acid (10236-60-9)

Guidance literature:

With sodium hydroxide; In ethanol; Yield given; Heating;

DOI:10.1016/0031-9422(88)80592-2

Reference yield:

2,3-dichlorotoluene (32768-54-0) → (2,3-dichlorophenyl)acetic acid (10236-60-9)

Guidance literature:

Multi-step reaction with 3 steps

1: N-bromosuccinimide / benzoyl peroxide / CCl₄

2: dimethylsulfoxide / 5 h / 40 - 50 °C

3: 25 percent NaOH / ethanol / Heating

With sodium hydroxide; N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; ethanol; dimethyl sulfoxide;

DOI:10.1016/0031-9422(88)80592-2

Reference yield:

2,3-dichlorbenzoic acid (50-45-3) → (2,3-dichlorophenyl)acetic acid (10236-60-9)

Guidance literature:

ueber mehrere Stufen;

upstream raw materials:

2,3-dichlorbenzoic acid

2,3-dichlorophenylacetonitrile

2,3-dichlorotoluene

1-(bromomethyl)-2,3-dichlorobenzene

Downstream raw materials:

(R)-4-benzyl-3-(2-(2,3-dichlorophenyl)acetyl)oxazolidin-2-one

(4R)-4-benzyl-3-(2-(2,3-dichlorophenyl)propanoyl)oxazolidin-2-one

(R)-2-(2,3-dichlorophenyl)propanoic acid

(R)-2-(2,3-dichlorophenyl)-N-(2-(pyridine-4-yl)benzo[d]oxazol-5-yl)propanamide

Refernces

• 1、 -. "Pharmacologically active CNS compound". . . Retrieved 2008/06/13.