1-bromo-3,4-difluorobenzene
N,N-dimethyl-formamide
3,4 difluorobenzaldehyde
Conditions | Yield |
---|---|
Stage #1: 1-bromo-3,4-difluorobenzene With magnesium; 3,4-difluorophenylmagnesium bromide In tetrahydrofuran; toluene at 0.7 - 30℃; for 1h; Inert atmosphere; Molecular sieve; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran; toluene at 10 - 15℃; for 1.5h; Reagent/catalyst; Solvent; Temperature; Molecular sieve; Inert atmosphere; | 96.2% |
Stage #1: 1-bromo-3,4-difluorobenzene With iodine; magnesium In tetrahydrofuran at 20℃; for 2h; Inert atmosphere; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at 0℃; for 0.5h; Inert atmosphere; | 63% |
isopropyl chloride
1-bromo-3,4-difluorobenzene
N,N-dimethyl-formamide
3,4 difluorobenzaldehyde
Conditions | Yield |
---|---|
Stage #1: isopropyl chloride With iodine; magnesium In tetrahydrofuran at 20 - 40℃; for 5.66667h; Inert atmosphere; Stage #2: 1-bromo-3,4-difluorobenzene In tetrahydrofuran at 0 - 10℃; Stage #3: N,N-dimethyl-formamide In tetrahydrofuran at 0 - 10℃; for 0.666667h; | 86% |
1-bromo-3,4-difluorobenzene
formic acid ethyl ester
A
3,4 difluorobenzaldehyde
B
bis(3,4-difluorophenyl)methanol
Conditions | Yield |
---|---|
With n-butyllithium In diethyl ether; hexane 1.) -78 deg C, 30 min, 2.) -78 to 20 deg C, overnight; | A 5.6% B 80% |
Conditions | Yield |
---|---|
With sodium azide; copper(II) choride dihydrate; oxygen In N,N-dimethyl-formamide at 100℃; for 10h; Schlenk technique; Sealed tube; | A 69% B 65% |
(3,4-difluorophenyl)methanol
A
3,4-Difluorobenzoic acid
B
3,4 difluorobenzaldehyde
Conditions | Yield |
---|---|
With peracetic acid; C24H29INO5 In acetic acid at 30℃; for 48h; | A 62% B 18% |
3,4-difluorotoluene
3,4 difluorobenzaldehyde
Conditions | Yield |
---|---|
With sodium molybdate; dihydrogen peroxide; cobalt(II) acetate; acetic acid; sodium bromide at 65℃; Temperature; | 30.7% |
With bromine; calcium carbonate In dichloromethane | |
With bromine; calcium carbonate In dichloromethane; water |
Dichloromethyl methyl ether
ortho-difluorobenzene
A
3,4 difluorobenzaldehyde
B
tris(3,4-difluorophenyl)methane
Conditions | Yield |
---|---|
With aluminum (III) chloride In dichloromethane | A 12% B 26 %Chromat. |
1-bromo-3,4-difluorobenzene
3,4 difluorobenzaldehyde
Conditions | Yield |
---|---|
With sodium formate; bis(triphenylphosphine)palladium(II) dichloride In CO; N,N-dimethyl-formamide |
Conditions | Yield |
---|---|
aluminium trichloride In dichloromethyl methylether; dichloromethane |
Conditions | Yield |
---|---|
With bromine; calcium carbonate In dichloromethane | |
With bromine; calcium carbonate In dichloromethane | |
With bromine; calcium carbonate In dichloromethane | |
With bromine; calcium carbonate In dichloromethane |
ortho-difluorobenzene
3,4 difluorobenzaldehyde
Conditions | Yield |
---|---|
aluminium trichloride In dichloromethane | |
aluminium trichloride In dichloromethane |
Conditions | Yield |
---|---|
aluminium trichloride In dichloromethane |
A
2-(3,4-difluorobenzyl)pyrazine
B
3,4 difluorobenzaldehyde
Conditions | Yield |
---|---|
With trifluoroacetic acid at 75℃; for 0.666667h; |
3,4 difluorobenzaldehyde
diethylzinc
(S)-1-(3,4-Difluoro-phenyl)-propan-1-ol
Conditions | Yield |
---|---|
With titanium(IV) isopropylate; N,N’-(1R,2R)-cyclohexane-1,2-diylbis(1,1,1-trifluoromethanesulfonamide) In toluene at -78℃; | 100% |
Stage #1: diethylzinc With titanium(IV) isopropylate; C48H34O4 In diethyl ether; hexane at 0℃; for 0.5h; Inert atmosphere; Stage #2: 3,4 difluorobenzaldehyde In diethyl ether; hexane at 20℃; for 5h; Inert atmosphere; optical yield given as %ee; enantioselective reaction; | 92% |
3,4 difluorobenzaldehyde
N-methoxylamine hydrochloride
3,4-difluorobenzaldehyde O-methyloxime
Conditions | Yield |
---|---|
100% |
2-(3-fluoro-4-methoxyphenyl)-2-[(trimethylsilyl)oxy]acetonitrile
3,4 difluorobenzaldehyde
3,4-difluoro-α-[(trimethylsilyl)oxy]benzeneacetonitrile
Conditions | Yield |
---|---|
100% |
3,4 difluorobenzaldehyde
2-(3,4-dimethoxyphenyl)-ethylamine
N-(3',4'-difluorophenyl)methyl-3,4-dimethoxyphenethylamine
Conditions | Yield |
---|---|
Stage #1: 3,4 difluorobenzaldehyde; 2-(3,4-dimethoxyphenyl)-ethylamine In methanol for 2 - 3h; Reflux; Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 1h; Cooling; | 100% |
Conditions | Yield |
---|---|
Stage #1: 3,4 difluorobenzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃; Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 0.416667h; | 99.1% |
Conditions | Yield |
---|---|
Stage #1: 4-methoxy-5H-furan-2-one With n-butyllithium Stage #2: 3,4 difluorobenzaldehyde In tetrahydrofuran at -78 - 20℃; | 99% |
Stage #1: 4-methoxy-5H-furan-2-one With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.25h; Inert atmosphere; Stage #2: 3,4 difluorobenzaldehyde In tetrahydrofuran; hexane at -78 - 20℃; Inert atmosphere; |
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; potassium carbonate In dimethyl sulfoxide; benzene at 90℃; for 6h; | 99% |
With tetrabutylammomium bromide; potassium carbonate In dimethyl sulfoxide at 90℃; for 7h; Inert atmosphere; | 92% |
3,4 difluorobenzaldehyde
ethyl (triphenylphosphoranylidene)acetate
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 16h; | 99% |
In toluene at 80℃; for 1h; | 67% |
3,4 difluorobenzaldehyde
2-(trans-4-butylcyclohexyl)-1,3-propanediol
Conditions | Yield |
---|---|
With hydrogenchloride; calcium chloride In water at 50℃; for 9h; Inert atmosphere; stereoselective reaction; | 99% |
3,4 difluorobenzaldehyde
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane
Conditions | Yield |
---|---|
With C34H28N6Zn In neat (no solvent) at 20℃; for 2h; Glovebox; Schlenk technique; | 99% |
Conditions | Yield |
---|---|
With acetic acid In ethyl acetate; benzene | 98.3% |
With acetic acid In ethyl acetate; benzene | 98.3% |
With acetic acid In ethyl acetate; benzene | 98.3% |
With acetic acid In ethyl acetate; benzene | 98.3% |
With acetic acid In ethyl acetate; benzene | 98.3% |
3,4 difluorobenzaldehyde
bis(3,4-difluorophenyl)methanol
Conditions | Yield |
---|---|
Stage #1: 1-bromo-3,4-difluorobenzene With n-butyllithium In diethyl ether; hexane at -78℃; for 3h; Stage #2: 3,4 difluorobenzaldehyde at -70 - 20℃; | 98% |
3,4 difluorobenzaldehyde
4,4-ethylenedioxy-piperidine
8-(3,4-difluorobenzyl)-1,4-dioxa-8-azaspiro[4.5]decane
Conditions | Yield |
---|---|
With sodium tris(acetoxy)borohydride; acetic acid In dichloromethane at 20℃; for 18h; | 98% |
3,4 difluorobenzaldehyde
Conditions | Yield |
---|---|
With hydrogenchloride In ethanol; water for 0.0666667h; Sealed tube; Microwave irradiation; Green chemistry; | 98% |
carbon tetrabromide
3,4 difluorobenzaldehyde
3,4-Difluoro-β,β'-dibromostyrene
Conditions | Yield |
---|---|
Stage #1: carbon tetrabromide With triphenylphosphine In dichloromethane at 0℃; for 1h; Inert atmosphere; Stage #2: 3,4 difluorobenzaldehyde In dichloromethane at 20℃; for 2h; Inert atmosphere; | 97% |
With triphenylphosphine; zinc 1.) CH2Cl2, 48 h, 2.) 3 h; Multistep reaction; | |
With triphenylphosphine; zinc 1.) CH2Cl2, r.t., 48 h, 2.) 2 h; Multistep reaction; |
1-(7-hydroxy-2,2-dimethylchroman-6-yl)ethanone
3,4 difluorobenzaldehyde
3-(3,4-difluoro-phenyl)-1-(7-hydroxy-2,2-dimethyl-chroman-6-yl)-propenone
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol; water at 20℃; for 48h; Claisen-Schmidt Condensation; | 97% |
3,4 difluorobenzaldehyde
diethyl 4-methylbenzylphosphonate
Conditions | Yield |
---|---|
Stage #1: diethyl 4-methylbenzylphosphonate With sodium hydride In tetrahydrofuran at 0 - 5℃; for 0.5h; Horner-Wadsworth-Emmons Olefination; Stage #2: 3,4 difluorobenzaldehyde In tetrahydrofuran at 0 - 20℃; for 20h; Horner-Wadsworth-Emmons Olefination; | 97% |
3,4 difluorobenzaldehyde
glycine ethyl ester hydrochloride
Conditions | Yield |
---|---|
Stage #1: glycine ethyl ester hydrochloride With magnesium sulfate; triethylamine In dichloromethane at 20℃; for 1h; Inert atmosphere; Stage #2: 3,4 difluorobenzaldehyde In dichloromethane at 20℃; for 12h; | 97% |
3,4 difluorobenzaldehyde
4-methoxy-aniline
[1-(3,4-Difluoro-phenyl)-meth-(E)-ylidene]-(4-methoxy-phenyl)-amine
Conditions | Yield |
---|---|
With DOWEX 50W X8-400 In benzene Heating; | 96% |
3,4 difluorobenzaldehyde
5-(trifluoromethyl)pyridin-3-ol
3-fluoro-4-((5-(trifluoromethyl)pyridin-3-yl)oxy)benzaldehyde
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 16h; | 96% |
4-amino-5-methyl-2,4-dihydro-[1,2,4]triazole-3-thione
3,4 difluorobenzaldehyde
Conditions | Yield |
---|---|
With acetic acid In ethanol for 0.0833333h; Time; Microwave irradiation; | 96% |
malonic acid
3,4 difluorobenzaldehyde
(E)-3-(3,4-difluorophenyl)acrylic acid
Conditions | Yield |
---|---|
With piperidine; pyridine at 90℃; for 2h; Inert atmosphere; | 95% |
With piperidine; pyridine for 4h; Reagent/catalyst; Temperature; Knoevenagel Condensation; Reflux; diastereoselective reaction; | 92% |
With piperidine In pyridine at 65℃; for 4h; | 87% |
2-(3-hydroxy-4-methoxyphenyl)-1,3-dioxolane
3,4 difluorobenzaldehyde
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 150℃; for 17h; | 95% |
1-(4-(4-benzylpiperidin-1-yl)phenyl)ethanone
3,4 difluorobenzaldehyde
Conditions | Yield |
---|---|
With sodium hydroxide In methanol at 60℃; for 0.5h; Claisen-Schmidt Condensation; Microwave irradiation; | 95% |
3,4 difluorobenzaldehyde
thiosemicarbazide
(E)-2-(3,4-difluoro-benzylidene)-hydrazine-carbothioamide
Conditions | Yield |
---|---|
With acetic acid In ethanol; water for 24h; Inert atmosphere; Schlenk technique; Reflux; | 95% |
With acetic acid In ethanol Reflux; |
3,4 difluorobenzaldehyde
1,3,5-tris(3,4-dimethoxybenzyl)benzene
C54H30F6O6
Conditions | Yield |
---|---|
With iron(III) chloride; acetic anhydride In nitromethane; dichloromethane at 20℃; Inert atmosphere; | 95% |
3,4 difluorobenzaldehyde
Conditions | Yield |
---|---|
In ethanol for 4h; Reflux; | 95% |
In ethanol for 4h; Reflux; |
3,4 difluorobenzaldehyde
thiosemicarbazide
Conditions | Yield |
---|---|
With sulfuric acid In ethanol at 40℃; for 4h; | 95% |
With acetic acid In ethanol at 65 - 70℃; for 10h; |
3,4 difluorobenzaldehyde
3-fluoro-1-diethylphosphonomethyl-benzene
Conditions | Yield |
---|---|
Stage #1: 3-fluoro-1-diethylphosphonomethyl-benzene With sodium hydride In tetrahydrofuran at 0 - 5℃; for 0.5h; Horner-Wadsworth-Emmons Olefination; Stage #2: 3,4 difluorobenzaldehyde In tetrahydrofuran at 0 - 20℃; for 20h; Horner-Wadsworth-Emmons Olefination; | 95% |
3,4-Difluorobenzaldehyde, with CAS number of 34036-07-2, can be called 3.4-Difluoro benzaldehyde; 3,4-Difluorobenzaldehyde; 3,4-fluorobenzaldehyde. It belongs to the product categories of Fluorin-contained benzaldehyde series; Fluoro-Aromatics; Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Miscellaneous; Aromatics; Aldehydes; C7; Carbonyl Compounds; Benzaldehyde series. It is a light yellow clear liquid and can be used for Medicine, Pesticide, intermediates of LCD materials.
Physical properties about 3,4-Difluorobenzaldehyde are: (1)ACD/LogP: 1.672; (2)ACD/LogD (pH 5.5): 1.67; (3)ACD/LogD (pH 7.4): 1.67; (4)ACD/BCF (pH 5.5): 10.98; (5)ACD/BCF (pH 7.4): 10.98; (6)ACD/KOC (pH 5.5): 193.38; (7)ACD/KOC (pH 7.4): 193.38; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.514; (11)Molar Refractivity: 32.993 cm3; (12)Molar Volume: 109.519 cm3; (13)Polarizability: 13.08 10-24cm3; (14)Surface Tension: 35.1049995422363 dyne/cm; (15)Density: 1.297 g/cm3; (16)Flash Point: 67.84 °C; (17)Enthalpy of Vaporization: 42.131 kJ/mol; (18)Boiling Point: 185.078 °C at 760 mmHg; (19)Vapour Pressure: 0.709999978542328 mmHg at 25°C
When you are using 3,4-Difluorobenzaldehyde, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing;
3. Wear suitable gloves and eye/face protection;
4. Wear suitable protective clothing and gloves;
You can still convert the following datas into molecular structure:
(1)SMILES:Fc1ccc(C=O)cc1F;
(2)Std. InChI:InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H;
(3)Std. InChIKey:JPHKMYXKNKLNDF-UHFFFAOYSA-N
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