2,6-Difluoro-4-methoxyphenylacetic acid

Base Information

• Chemical Name: 2,6-Difluoro-4-methoxyphenylacetic acid
• CAS No.: 886498-98-2
• Molecular Formula: C9H8F2O3
• Molecular Weight: 202.158
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID90409280
• Wikidata: Q72463331
• Mol file: 886498-98-2.mol

Synonyms:2,6-Difluoro-4-methoxyphenylacetic acid;886498-98-2;2-(2,6-difluoro-4-methoxyphenyl)acetic acid;MFCD04115927;2-(2,6-Difluoro-4-methoxyphenyl)aceticacid;2,6-difluoro-4-methoxyphenylaceticacid;2-(2,6-difluoro-4-methoxy-phenyl)acetic Acid;(2,6-difluoro-4-methoxyphenyl)acetic acid;2,6-DIFLUORO-4-METHOXYBENZENEACETIC ACID;SCHEMBL1462161;DTXSID90409280;KXWRAINJKJTUDG-UHFFFAOYSA-N;CL8751;AKOS015853408;AB20640;AM84023;DS-10886;FT-0648756;(2,6-Difluoro-4-methoxy-phenyl)-acetic acid;2 pound not6-Difluoro-4-methoxyphenylacetic acid;J-507472

Chemical Property of 2,6-Difluoro-4-methoxyphenylacetic acid

Chemical Property:

• Melting Point: 138-141℃
• Boiling Point: 269.4 °C at 760 mmHg
• Flash Point: 116.7 °C
• PSA: 46.53000
• Density: 1.354 g/cm³
• LogP: 1.60050
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 202.04415044
• Heavy Atom Count: 14
• Complexity: 198

Purity/Quality:

98%min ^*data from raw suppliers

2,6-Difluoro-4-methoxyphenylaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1)F)CC(=O)O)F

Technology Process of 2,6-Difluoro-4-methoxyphenylacetic acid

There total 3 articles about 2,6-Difluoro-4-methoxyphenylacetic 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: 93.0%

2-(2,6-difluoro-4-methoxyphenyl)malonic acid (1268822-63-4) → 2-(2,6-difluoro-4-methoxyphenyl)acetic acid (886498-98-2)

Guidance literature:

at 160 ℃;

Reference yield:

diethyl 2-(2,6-difluoro-4-methoxyphenyl)malonate (244092-40-8) → 2-(2,6-difluoro-4-methoxyphenyl)acetic acid (886498-98-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide; water / diethyl ether / Heating; Reflux

2: 160 °C

With water; sodium hydroxide; In diethyl ether;

Reference yield:

diethyl 2-(2,6-difluoro-4-methoxyphenyl)malonate → 2-(2,6-difluoro-4-methoxyphenyl)acetic acid (886498-98-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / water; diethyl ether / Reflux

2: 160 °C

With sodium hydroxide; In diethyl ether; water;

DOI:10.1002/cmdc.201300015

upstream raw materials:

diethyl 2-(2,6-difluoro-4-methoxyphenyl)malonate

2-(2,6-difluoro-4-methoxyphenyl)malonic acid

Downstream raw materials:

methyl 2-(2,6-difluoro-4-methoxyphenyl)acetate

methyl 2-(2,6-difluoro-4-hydroxyphenyl)acetate

methyl 2-[2,6-difluoro-4-(triisopropylsilyloxy)phenyl]acetate

2-[2,6-difluoro-4-(triisopropylsilyloxy)phenyl]ethanol

Refernces

• 1、 -. "AROMATASE INHIBITOR". . . Retrieved 2011/04/14.