Methyl (2R)-2-fluoropropanoate CAS#: 146805-74-5; 凯望编码 (ChemWhat Code): 427441

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名Methyl (2R)-2-fluoropropanoate
IUPAC Namemethyl (2R)-2-fluoropropanoate
分子结构Structure of Methyl (2R)-2-fluoropropanoate CAS 146805-74-5
CAS编号 146805-74-5
EINECS NumberNo data available
MDL NumberNo data available
Beilstein Registry NumberNo data available
别名methyl (R)-2-fluoropropanoate(R)-2-fluoropropionic acid methyl estermethyl-(R)-2-fluoropropionate
分子式C4H7FO2
分子量106.096
InChIInChI=1S/C4H7FO2/c1-3(5)4(6)7-2/h3H,1-2H3/t3-/m1/s1
InChI KeyMHAIQPNJLRLFLO-GSVOUGTGSA-N
Canonical SMILESC[C@H](C(=O)OC)F
Patent Information
Patent IDTitlePublication Date
WO2024/227818CONTINUOUS DEOXYFLUORINATION WITH SF42024
CN112079755Preparation method of fluoride and intermediate thereof2020

Physical Data

AppearanceLight yellow liquid
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available
Boiling Point, °CPressure (Boiling Point), Torr
108
79 – 8210.5011 – 12.0012
81 – 849.0009 – 15.0015

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHz
Chemical shifts1Hchloroform-d1400
Chemical shifts19Fchloroform-d1376
Methyl (2R)-2-fluoropropanoate CAS#: 146805-74-5 HNMRHNMR of Methyl (2R)-2-fluoropropanoate CAS 146805-74-5
Methyl (2R)-2-fluoropropanoate CAS#: 146805-74-5 GCGC of Methyl (2R)-2-fluoropropanoate CAS 146805-74-5

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Methyl (2R)-2-fluoropropanoate CAS# 146805-74-5
Route of Synthesis (ROS) of Methyl (2R)-2-fluoropropanoate CAS# 146805-74-5
ConditionsYield
With sulfuryl fluoride; hydrogen fluoride In N,N-dimethyl-aniline at 95 – 105℃; Concentration; Large scale;95.1%
With sulfuryl fluoride; tributyl-amine at -10 – 20℃; Product distribution / selectivity;84%
With sulfuryl fluoride; triethylamine at 0 – 20℃; Product distribution / selectivity;n/a
With DAST In dichloromethane at -78 – 15℃; Solvent; Temperature; Inert atmosphere;91.3%

Safety and Hazards

Pictogram(s)flameexclamation-mark
SignalWarning
GHS Hazard StatementsH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Information may vary between notifications depending on impurities, additives, and other factors.
Precautionary Statement CodesP210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationNONH for all modes of transport
Under the room temperature and away from light
HS CodeNo data available
StorageUnder the room temperature and away from light
Shelf Life1 year
Market PriceUSD
Druglikeness
Lipinski rules component
分子量106.097
logP0.634
HBA2
HBD0
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)26.3
Rotatable Bond (RotB)2
Matching Veber Rules2
Use Pattern
Commonly used as pesticide intermediates.

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