2-(4-(Trifluoromethoxy)phenoxy)acetic acid

Base Information

• Chemical Name: 2-(4-(Trifluoromethoxy)phenoxy)acetic acid
• CAS No.: 72220-50-9
• Molecular Formula: C9H7 F3 O4
• Molecular Weight: 236.147
• Hs Code.: 2918990090
• European Community (EC) Number: 673-129-9
• DSSTox Substance ID: DTXSID60351323
• Wikidata: Q82127652
• Mol file: 72220-50-9.mol

Synonyms:72220-50-9;2-(4-(Trifluoromethoxy)phenoxy)acetic acid;4-(Trifluoromethoxy)phenoxyacetic acid;2-[4-(trifluoromethoxy)phenoxy]acetic acid;[4-(trifluoromethoxy)phenoxy]acetic acid;(4-trifluoromethoxy-phenoxy)-acetic acid;MFCD00052352;Acetic acid, [4-(trifluoromethoxy)phenoxy]-;Maybridge1_006105;AE-641/13516020;SCHEMBL656941;HMS558N11;DTXSID60351323;4-trifluoromethoxyphenoxyacetic acid;BBL028040;STK727412;AKOS000271180;PS-7646;(4-Trifluoromethoxyphenoxy)-acetic acid;SY109390;2-(4-(Trifluoromethoxy)phenoxy)aceticacid;CS-0041702;FT-0616898;2-[4-(trifluoromethyloxy)phenoxy]ethanoic acid;A50573;A837454;A837616;2-[4-(TRIFLUOROMETHOXY)PHENOXY]-ACETIC ACID

Chemical Property of 2-(4-(Trifluoromethoxy)phenoxy)acetic acid

Chemical Property:

• Vapor Pressure: 0.00161mmHg at 25°C
• Melting Point: 84-86°C
• Refractive Index: 1.472
• Boiling Point: 282.2°C at 760 mmHg
• PKA: 3.05±0.10(Predicted)
• Flash Point: 124.5°C
• PSA: 55.76000
• Density: 1.431g/cm³
• LogP: 2.04860
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 236.02964319
• Heavy Atom Count: 16
• Complexity: 233

Purity/Quality:

97% ^*data from raw suppliers

2-(4-(Trifluoromethoxy)phenoxy)aceticAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCC(=O)O)OC(F)(F)F

Technology Process of 2-(4-(Trifluoromethoxy)phenoxy)acetic acid

There total 1 articles about 2-(4-(Trifluoromethoxy)phenoxy)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:

(4-trifluoromethoxyphenoxy)-acetic acid tert-butyl ester (867340-08-7) → 2-[4-(trifluoromethoxy)phenoxy]acetic acid (72220-50-9)

Guidance literature:

With trifluoroacetic acid; for 3h;

Reference yield: 70.5%

5-ethyl-5-hydroxy-1,4,5,13-tetrahydro-3H,15H-oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione (186668-40-6) + 2-[4-(trifluoromethoxy)phenoxy]acetic acid (72220-50-9) → C30H23F3N2O7 (631090-35-2)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃;

DOI:10.1080/10286020.2013.855203

Reference yield: 63.0%

2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-amine (869184-20-3) + 2-[4-(trifluoromethoxy)phenoxy]acetic acid (72220-50-9) → N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/acs.jmedchem.5b01704

upstream raw materials:

(4-trifluoromethoxyphenoxy)-acetic acid tert-butyl ester

Downstream raw materials:

2-(4-(trifluoromethoxy)phenoxy)acetyl chloride

C₂₇H₃₀F₃N₅O₄

C₂₇H₂₈F₃N₅O₄

C₂₄H₂₄F₃N₅O₄

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