(2-Isopropylphenoxy)acetic acid

Base Information

• Chemical Name: (2-Isopropylphenoxy)acetic acid
• CAS No.: 25141-58-6
• Molecular Formula: C11H14 O3
• Molecular Weight: 194.23
• Hs Code.: 2918990090
• European Community (EC) Number: 843-662-3
• DSSTox Substance ID: DTXSID50361638
• Nikkaji Number: J779.937C
• Wikidata: Q82144050
• Mol file: 25141-58-6.mol

Synonyms:25141-58-6;(2-isopropylphenoxy)acetic acid;2-(2-isopropylphenoxy)acetic acid;(2-Isopropyl-phenoxy)-acetic acid;2-(2-propan-2-ylphenoxy)acetic acid;2-Isopropylphenoxy Acetic Acid;Acetic acid, 2-[2-(1-methylethyl)phenoxy]-;MFCD00463165;2-[2-(propan-2-yl)phenoxy]acetic acid;[2-(propan-2-yl)phenoxy]acetic acid;Enamine_005955;SCHEMBL4808600;2-(2-isopropylphenoxy)aceticacid;DTXSID50361638;HMS1410O15;BBL015072;STK012704;alpha-(2-isopropylphenoxy)acetic acid;AKOS000264633;IDI1_008190;VS-04831;(2-Isopropylphenoxy)acetic acid AldrichCPR;(2-Isopropylphenoxy)acetic acid, AldrichCPR;CS-0154272;EN300-06288;D83213;Z56917412

Chemical Property of (2-Isopropylphenoxy)acetic acid

Chemical Property:

• Vapor Pressure: 0.000147mmHg at 25°C
• Boiling Point: 318.8°Cat760mmHg
• Flash Point: 121.8°C
• PSA: 46.53000
• Density: 1.112g/cm³
• LogP: 2.27340
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 189

Purity/Quality:

98%min ^*data from raw suppliers

(2-Isopropylphenoxy)acetic acid ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=CC=C1OCC(=O)O
• Uses: 2-Isopropylphenoxy Acetic Acid is a chemical elicitors that induces resistance in rice to herbivores such as the white-backed planthopper Sogatella furcifera.

Technology Process of (2-Isopropylphenoxy)acetic acid

There total 10 articles about (2-Isopropylphenoxy)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: 69.0%

ethyl 2-(2-isopropylphenoxy)acetate (444613-15-4) → 2-(2-isopropylphenoxy)acetic acid (25141-58-6)

Guidance literature:

With sodium hydroxide; In ethanol; Reflux;

DOI:10.1016/j.biopha.2017.08.105

Reference yield:

2-(1-methylethyl)phenol (88-69-7) + ethyl bromoacetate (105-36-2) → 2-(2-isopropylphenoxy)acetic acid (25141-58-6)

Guidance literature:

With sodium hydroxide; potassium carbonate; In N-methyl-acetamide; ethanol; water;

Reference yield:

C11H13O3(1-)*Na(1+) → 2-(2-isopropylphenoxy)acetic acid (25141-58-6)

Guidance literature:

With hydrogenchloride; In water; pH=1;

DOI:10.1016/j.bmcl.2015.10.041

upstream raw materials:

2-(1-methylethyl)phenol

bromoacetic acid

chloroacetic acid

isopropoxybenzene

Downstream raw materials:

N-(2-aminophenyl)-2-(2-isopropylphenoxy)acetamide

Refernces

• 1、 Al-Ostoot, Fares Hezam,Sherapura, Ankith,Malojirao, Vikas H.,Thirusangu, Prabhu,Al-Muhimeed, Tahani I.,Khanum, Shaukath Ara,Prabhakar. "Modulation of DNA damage response by targeting ATM kinase using newly synthesized di-phenoxy acetamide (DPA) analogs to induce anti-neoplasia". . p. 1344 - 1360. Retrieved 2021/06/14.
• 2、 Mohammed, Yasser Hussein Eissa,Malojirao, Vikas H.,Thirusangu, Prabhu,Al-Ghorbani, Mohammed,Prabhakar,Khanum, Shaukath Ara. "The Novel 4-Phenyl-2-Phenoxyacetamide Thiazoles modulates the tumor hypoxia leading to the crackdown of neoangiogenesis and evoking the cell death". . p. 1826 - 1839. Retrieved 2017/11/16.