Ethyl 3,4-difluorobenzoate

Base Information

• Chemical Name: Ethyl 3,4-difluorobenzoate
• CAS No.: 144267-96-9
• Molecular Formula: C9H8F2O2
• Molecular Weight: 186.158
• Hs Code.: 2916399090
• European Community (EC) Number: 672-013-5
• DSSTox Substance ID: DTXSID70371890
• Wikidata: Q72474335
• Mol file: 144267-96-9.mol

Synonyms:ethyl 3,4-difluorobenzoate;144267-96-9;Benzoic acid, 3,4-difluoro-, ethyl ester;MFCD00272138;ethyl-3,4-difluorobenzoate;ethyl 3,4-difluoro-benzoate;SCHEMBL1147208;AMY6553;DTXSID70371890;NKIWNSXGZXESSM-UHFFFAOYSA-N;AKOS004911135;3,4-Difluoro-benzoic acid ethyl ester;PS-8473;SDCCGMLS-0066195.P001;SY021829;CS-0042769;FT-0626006;A24218;EN300-132161;Z292646542

Chemical Property of Ethyl 3,4-difluorobenzoate

Chemical Property:

• Boiling Point: 223.408 °C at 760 mmHg
• Flash Point: 86.556 °C
• PSA: 26.30000
• Density: 1.223 g/cm³
• LogP: 2.14150
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 186.04923582
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3,4-difluorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F
• Hazard Codes: Xi,F
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 3,4-difluorobenzoate

There total 2 articles about Ethyl 3,4-difluorobenzoate 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: 91.0%

→ ethyl 3,4-difluorobenzoate (144267-96-9)

Guidance literature:

Reference yield: 64.0%

ethanol (64-17-5) + 3,4-Difluorobenzoic acid (455-86-7) → ethyl 3,4-difluorobenzoate (144267-96-9)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 20 ℃; for 24h;

Reference yield: 91.0%

ethyl 3,4-difluorobenzoate (144267-96-9) + piperazine (110-85-0) → ethyl 3-fluoro-4-(piperazin-1-yl)benzoate

Guidance literature:

In N,N-dimethyl acetamide; at 120 ℃; for 1.5h;

upstream raw materials:

ethanol

3,4-Difluorobenzoic acid

Downstream raw materials:

1-(3,4-difluoro-phenyl)-2-pyridin-4-yl-ethanone

4-[5-(3,4-difluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidine-1-carboxylic acid benzyl ester

4-[4-(3,4-difluoro-phenyl)-4-oxo-3-pyridin-4-yl-butyryl]-piperidine-1-carboxylic acid benzyl ester

ethyl 3-fluoro-4-{3-[(1S)-2-methoxy-1-methylethoxy]-5-[(1H-pyrazol-3-ylamino)carbonyl]phenoxy}benzoate