2-[3-(difluoromethoxy)phenyl]acetic Acid

Base Information

• Chemical Name: 2-[3-(difluoromethoxy)phenyl]acetic Acid
• CAS No.: 262587-06-4
• Molecular Formula: C9H8F2O3
• Molecular Weight: 202.158
• Hs Code.: 2918990090
• European Community (EC) Number: 838-732-5
• DSSTox Substance ID: DTXSID00378897
• Wikidata: Q82168480
• Mol file: 262587-06-4.mol

Synonyms:262587-06-4;2-[3-(difluoromethoxy)phenyl]acetic Acid;2-(3-(Difluoromethoxy)phenyl)acetic acid;3-(Difluoromethoxy)phenylacetic acid;MFCD00236238;Benzeneacetic acid, 3-(difluoromethoxy)-;[3-(difluoromethoxy)phenyl]acetic acid;2-(3-(Difluoromethoxy)phenyl)aceticacid;SCHEMBL15042279;DTXSID00378897;FCKUTXMFTNGMNV-UHFFFAOYSA-N;AKOS008105168;PS-8189;SB85501;EN300-70745;N12246;A877291;Z381554898

Chemical Property of 2-[3-(difluoromethoxy)phenyl]acetic Acid

Chemical Property:

• PSA: 46.53000
• LogP: 1.91510
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 202.04415044
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

97% ^*data from raw suppliers

3-(Difluoromethoxy)phenylaceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-[3-(difluoromethoxy)phenyl]acetic Acid

There total 2 articles about 2-[3-(difluoromethoxy)phenyl]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:

C13H16F2O3 (1439400-61-9) → 2-(3-(difluoromethoxy)phenyl)acetic acid (262587-06-4)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃;

Reference yield:

(3-bromophenyl)difluoromethyl ether (262587-05-3) → 2-(3-(difluoromethoxy)phenyl)acetic acid (262587-06-4)

Guidance literature:

Multi-step reaction with 2 steps

1: bis(tri-t-butylphosphine)palladium ⁽⁰⁾ / 1,4-dioxane; diethyl ether / 20 °C / Inert atmosphere

2: trifluoroacetic acid / dichloromethane / 0 - 20 °C

With bis(tri-t-butylphosphine)palladium ⁽⁰⁾; trifluoroacetic acid; In 1,4-dioxane; diethyl ether; dichloromethane;

Reference yield: 18.0%

2-(3-(difluoromethoxy)phenyl)acetic acid (262587-06-4) + 3-chloro-4-(oxazol-5-yl)phenylamine (198821-76-0) → N-(3-chloro-4-(oxazol-5-yl)phenyl)-2-(3-(difluoromethoxy)phenyl)acetamide

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

upstream raw materials:

(3-bromophenyl)difluoromethyl ether

C₁₃H₁₆F₂O₃

Downstream raw materials:

C₂₇H₂₆F₂N₆O₃S

C₂₇H₂₆F₂N₆O₃S

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