2,2-Difluoropropanoic acid
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2,2-Difluoropropanoic acid
structure -
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CAS No:
373-96-6
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Formula:
C3H4F2O2
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Chemical Name:
2,2-Difluoropropanoic acid
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Synonyms:
Propanoic acid,2,2-difluoro-;Propionic acid,2,2-difluoro-;2,2-Difluoropropanoic acid;α,α-Difluoropropionic acid;2,2-Difluoropropionic acid
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CAS No:
Safety Information
III
8
3261
3
R36
S26-S36/37/39
Xi:Irritant;
P305 + P351 + P338
H319
|Danger|H314 (16.33%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P337+P313, P363, P405, and P501|Aggregated GHS information provided by 49 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,2-Difluoropropanoic acid Use and Manufacturing
Reference Example G 38 Reference Example 38 1, 3-dimethyl-2-imidazolidinone 5.00mL (0.996L / mol), 1, 8- diazabicyclo [5.4.0] undec-7-ene-1 hydrogenfluoride 18.6g (108mmol , 2.00eq), 2.60g (15 .1mmol, 3.01eq), 70percent hydrogen fluoride pyridine 138mg[hydrogen fluoride 96.6mg (4.83mmol, 0.962eq), pyridine 41.4mg (523μmol, 0.104eq)] and 2, 6-di -tert--butyl-4-methyl phenol 5.00mg (22.7μmol, 0.00452eq)was added, and the mixture was stirred under ice-cold (molar ratio of hydrogenfluoride and organic base 1: 1.3, fluoride ion 3 .97eq).To this homogeneous solution, The in indicated by α- halogeno -α- fluoro esters 1.00g (5.02mmol, 1.00eq) was added under ice-cooling, and the mixture was stirred at roomtemperature for 2 days. The conversion rate of F-NMR analysis of thecompletion of the reaction solution is 75percent and Production ratio of α, α- difluoro esters (the desired product), hydrolysis body of α, α- difluoro esters (the desired product hydrolysis body) and α- fluoro -α, β- unsaturated ester (by-product)represented by the following formulae was 64: 9: 27.To a stirred suspension of To a stirred solution of To a stirred solution of To a stirred solution of To a stirred solution of To a stirred solution of intermediate A4 (0.20 g, 0.87 mmol, 1.0 eq) in DMF (10 mL), HATU (0.49 g, 1.30 mmol, 1.5 eq), DIPEA (0.75 mL, 4.30 mmol, 5.0 eq) and Step 1 Step 1 To a stirred solution of intermediate A7 (3.12 g, 13.92 mmol, 1.0 eq) in DMF (30 mL) were added HATU (7.90 g, 20.89 mmol, 1.5 eq), DIPEA (12.0 mL, 69.64 mmol, 5.0 eq) and To a stirred solution of intermediate A7 (3.12 g, 13.92 mmol, 1.0 eq) in DMF (30 mL), HATU (7.90 g, 20.89 mmol, 1.5 eq), DIPEA (12.0 ml, 69.64 mmol, 5.0 eq) and N-(TRANS-2-(2, 3-DIHYDROBENZO[B][1, 4]DIOXIN-6-YL)-1-(1-(4-FLUOROPHENYL)-1H-INDAZOL-5-YL)-5-OXOPYRROLIDIN-3-YL)-2, 2-DIFLUOROPROPANAMIDE
Computed Properties
Molecular Weight:110.06
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:110.01793569
Monoisotopic Mass:110.01793569
Topological Polar Surface Area:37.3
Heavy Atom Count:7
Complexity:88.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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