3,4-Difluorophenylacetyl chloride

Base Information

• Chemical Name: 3,4-Difluorophenylacetyl chloride
• CAS No.: 121639-61-0
• Molecular Formula: C8H5ClF2O
• Molecular Weight: 190.577
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID60562255
• Nikkaji Number: J2.015.749F
• Wikidata: Q82446336
• Mol file: 121639-61-0.mol

Synonyms:3,4-Difluorophenylacetyl chloride;121639-61-0;2-(3,4-difluorophenyl)acetyl chloride;3,4-Difluorophenyl acetyl chloride;(3,4-difluorophenyl)acetyl chloride;Benzeneacetyl chloride, 3,4-difluoro-;SCHEMBL2173469;3,4-Difluorophenylacetylchloride;DTXSID60562255;NHXZDVXZDDNPFM-UHFFFAOYSA-N;WEA63961;MFCD08458138;AKOS006346504;(3,4-Difluoro-phenyl)-acetyl chloride;PS-10931;3,4-difluorophenylacetyl chloride, AldrichCPR

Chemical Property of 3,4-Difluorophenylacetyl chloride

Chemical Property:

• Boiling Point: 224.5±30.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.369±0.06 g/cm3(Predicted)
• LogP: 2.27270
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 189.9996988
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

3,4-Difluorophenylacetyl chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CC(=O)Cl)F)F

Technology Process of 3,4-Difluorophenylacetyl chloride

There total 2 articles about 3,4-Difluorophenylacetyl chloride 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: 100.0%

(3,4-difluorophenyl)acetic acid (658-93-5) → 3,4-difluorophenylacetyl chloride (121639-61-0)

Guidance literature:

With thionyl chloride; In 1,2-dichloro-ethane; for 16h; Heating / reflux;

Reference yield:

→ 3,4-difluorophenylacetyl chloride (121639-61-0)

Guidance literature:

Reference yield: 67.0%

4-[6-((R)-3-fluoro-pyrrolidin-1-yl)-3-methyl-5-nitro-pyridin-2-yl]-[1,4]oxazepane (1241528-53-9) + 3,4-difluorophenylacetyl chloride (121639-61-0) → 2-(3,4-difluoro-phenyl)-N-[2-((R)-3-fluoro-pyrrolidin-1-yl)-5-methyl-6-[1,4]oxazepan-4-yl-pyridin-3-yl]-acetamide (1241528-38-0)

Guidance literature:

4-[6-((R)-3-fluoro-pyrrolidin-1-yl)-3-methyl-5-nitro-pyridin-2-yl]-[1,4]oxazepane; With hydrazine hydrate; Raney nickel; In tetrahydrofuran; water; for 1h;

3,4-difluorophenylacetyl chloride; In tetrahydrofuran; at 20 ℃; for 1h;

upstream raw materials:

(3,4-difluorophenyl)acetic acid

Downstream raw materials:

2-(3,4-difluoro-phenyl)-1-{2-[2-(4-methylsulfanyl-phenyl)-2-oxo-ethyl]-pyrrolidin-1-yl}-ethanone

3-(R)-(3,4-difluorophenyl)-4-(R)-(4-methoxyphenoxymethyl)tetrahydro-2H-pyran-2-one

4-(R)-(3,4-difluorophenyl)-4-{N-[(1R,2R)-2-hydroxy-1-methyl-2-phenylethyl]-N-methylcarbamoyl}-3-(R)-(4-methoxyphenoxymethyl)butyric acid methyl ester

4-[5-(3,4-difluoro-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidine

Refernces

• 1、 Demkowicz, Sebastian,Dako, Mateusz,Kozak, Witold,Krawczyk, Katarzyna,Witt, Dariusz,Maslyk, Maciej,Kubiski, Konrad,Rachon, Janusz. "Synthesis and Biological Evaluation of Fluorinated 3-Phenylcoumarin-7-O-Sulfamate Derivatives as Steroid Sulfatase Inhibitors". . p. 233 - 238. Retrieved 2016.
• 2、 Si, Dongjuan,Luo, Huijuan,Zhang, Xiaomeng,Yang, Kundi,Wen, Hongmei,Li, Wei,Liu, Jian. "Design, synthesis and biological evaluation of novel pyrrolidone-based derivatives as potent p53-MDM2 inhibitors". . . Retrieved 2021/08/27.
• 3、 Thurow, Samuel,Fernandes, Alessandra A. G.,Quevedo-Acosta, Yovanny,De Oliveira, Matheus F.,De Oliveira, Marcelo G.,Jurberg, Igor D.. "Preparation of Organic Nitrates from Aryldiazoacetates and Fe(NO3)3·9H2O". supporting information. p. 6909 - 6913. Retrieved 2019/09/12.