2,3-Dimethylphenoxyacetic acid

Base Information

• Chemical Name: 2,3-Dimethylphenoxyacetic acid
• CAS No.: 2935-63-9
• Molecular Formula: C10H12 O3
• Molecular Weight: 180.203
• Hs Code.: 29189990
• European Community (EC) Number: 220-911-9
• NSC Number: 62095
• DSSTox Substance ID: DTXSID80183582
• Nikkaji Number: J306.860I
• Wikidata: Q83054397
• Mol file: 2935-63-9.mol

Synonyms:2,3-Dimethylphenoxyacetic acid;2935-63-9;2-(2,3-dimethylphenoxy)acetic acid;(2,3-dimethylphenoxy)acetic acid;2,3-Xylyloxyacetic acid;EINECS 220-911-9;MFCD00016814;Acetic acid, 2-(2,3-dimethylphenoxy)-;NSC62095;Enamine_005510;2,3-Dimethylphenoxyessig;Cambridge id 5161587;SCHEMBL2059383;(2,3-Dimethylphenoxy)acetic aci;DTXSID80183582;HMS1409K10;BBL014208;NSC 62095;NSC-62095;STK009307;2-(2,3-Dimethylphenoxy)-acetic acid;Acetic acid, (2,3-dimethylphenoxy)-;AKOS000104002;MS-10588;BB 0259294;CS-0197124;FT-0609720;E73908;Z56911972

Chemical Property of 2,3-Dimethylphenoxyacetic acid

Chemical Property:

• Appearance/Colour: off-white crystalline powder
• Vapor Pressure: 0.000187mmHg at 25°C
• Melting Point: 186-190 °C
• Boiling Point: 315.2°Cat760mmHg
• Flash Point: 124.3°C
• PSA: 46.53000
• Density: 1.146g/cm³
• LogP: 1.76680
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

2,3-DIMETHYLPHENOXYACETIC ACID ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)OCC(=O)O)C

Technology Process of 2,3-Dimethylphenoxyacetic acid

There total 2 articles about 2,3-Dimethylphenoxyacetic 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: 77.0%

2,3-Dimethylphenol (526-75-0) + chloroacetic acid (79-11-8) → (2,3-dimethylphenoxy)acetic acid (2935-63-9)

Guidance literature:

With sodium hydroxide; In water; at 110 - 120 ℃; for 3h;

DOI:10.1023/A:1012387131029

Reference yield:

→ (2,3-dimethylphenoxy)acetic acid (2935-63-9)

Guidance literature:

DOI:10.1007/BF00903571

Reference yield: 92.0%

(2,3-dimethylphenoxy)acetic acid (2935-63-9) + 1-(2,6-dichlorobenzyl)-5-phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one (713517-90-9) → 5-(2,6-dichloro-benzyl)-1-(2,3-dimethyl-phenoxy)-9b-phenyl-5,9b-dihydro-1H-2a,5-diaza-benzo[a]cyclobuta[c]cycloheptene-2,4-dione

Guidance literature:

With bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/jm031115r

upstream raw materials:

2,3-Dimethylphenol

chloroacetic acid

Downstream raw materials:

2,3-Dimethyl-phenoxy-acetylchlorid

C₁₆H₂₀O₄

C₁₇H₂₂O₄

Refernces

• 1、 -. "Double - (to - alkoxybenzyl propenone) glutathione - S - transfers the sulfur of the enzyme dives inhibitors". Paragraph 0072; 0076; 0078. . Retrieved 2020/05/08.
• 2、 Li, Ting,Liu, Guyue,Li, Hongcai,Yang, Xinmei,Jing, Yongkui,Zhao, Guisen. "The synthesis of ethacrynic acid thiazole derivatives as glutathione S-transferase pi inhibitors". scheme or table. p. 2316 - 2322. Retrieved 2012/05/07.