2-(3,5-Dichlorophenoxy)acetic acid

Base Information

• Chemical Name: 2-(3,5-Dichlorophenoxy)acetic acid
• CAS No.: 587-64-4
• Molecular Formula: C8H6 Cl2 O3
• Molecular Weight: 221.04
• Hs Code.: 2918990090
• NSC Number: 190561
• DSSTox Substance ID: DTXSID40207399
• Nikkaji Number: J79.678F
• Wikidata: Q83081299
• Mol file: 587-64-4.mol

Synonyms:2-(3,5-dichlorophenoxy)acetic acid;587-64-4;Acetic acid, (3,5-dichlorophenoxy)-;NSC 190561;3,5-DICHLOROPHENOXYACETIC ACID;SCHEMBL5274567;DTXSID40207399;(3,5-Dichlorophenoxy)acetic acid;LXWGIMHMQOCPCR-UHFFFAOYSA-N;2-(3,5-dichlorophenoxy)aceticacid;(3,5-dichloro-phenoxy)-acetic acid;NSC190561;2-(3,5-dichlorophenoxyl)acetic acid;AKOS008136952;NSC-190561;3,5-D;CS-0264730;EN300-94265;A50586;Z441805200

Chemical Property of 2-(3,5-Dichlorophenoxy)acetic acid

Chemical Property:

• Vapor Pressure: 1.86E-05mmHg at 25°C
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 348.7°Cat760mmHg
• Flash Point: 164.7°C
• PSA: 46.53000
• Density: 1.488g/cm³
• LogP: 2.45680
• Water Solubility.: 961.5mg/L(25 oC)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 219.9693994
• Heavy Atom Count: 13
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

2-(3,5-dichlorophenoxy)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)OCC(=O)O

Technology Process of 2-(3,5-Dichlorophenoxy)acetic acid

There total 5 articles about 2-(3,5-Dichlorophenoxy)acetic 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:

3,5-dichlorophenol (591-35-5) + ethyl bromoacetate (105-36-2) → 2-(3,5-dichlorophenoxy)acetic acid (587-64-4)

Guidance literature:

With ethanol; potassium carbonate; Hydrolyse des gebildeten Esters;

DOI:10.1021/ja01195a604

Reference yield:

3,5-Dichlorphenoxy-essigsaeuremethylester (1928-54-7) → 2-(3,5-dichlorophenoxy)acetic acid (587-64-4)

Guidance literature:

With lithium hydroxide; In methanol; water; at 50 ℃; for 12h;

DOI:10.1021/acs.jafc.9b03109

Reference yield:

ethyl bromoacetate (105-36-2) → 2-(3,5-dichlorophenoxy)acetic acid (587-64-4)

Guidance literature:

With ethanol; anschliessend Erwaermen mit wss. Natronlauge;

upstream raw materials:

3,5-dichlorophenol

ethyl bromoacetate

tert-Butyl chloroacetate

chloroacetic acid

Downstream raw materials:

N-(1-(2-(3,5-Dichlorophenoxy)acetyl)piperidin-4-yl)-4-(1H-1,2,3-triazol-4-yl)butanamide

tert-butyl (1-(2-(3,5-dichlorophenoxy)acetyl)piperidin-4-yl)carbamate

2-(3,5-dichlorophenoxy)-N-methoxy-N-methylacetamide

5-((3,5-dichlorophenoxy)methyl)-1H-pyrazol-3(2H)-one

Refernces

• 1、 Wang, Da-Wei,Lin, Hong-Yan,He, Bo,Wu, Feng-Xu,Chen, Tao,Chen, Qiong,Yang, Wen-Chao,Yang, Guang-Fu. "An Efficient One-Pot Synthesis of 2-(Aryloxyacetyl)cyclohexane-1,3-diones as Herbicidal 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors". . p. 8986 - 8993. Retrieved 2016/12/09.