405-03-8|1,2-Difluoro-4-vinylbenzene| Ambeed

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Structure of 405-03-8

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Quality Control of [ 405-03-8 ] Purity: 98% mix TBC as stabilizer SDS Specification

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Product Details of [ 405-03-8 ]

CAS No. :	405-03-8
Formula :	C₈H₆F₂
M.W :	140.13
SMILES Code :	C=CC1=CC=C(F)C(F)=C1
MDL No. :	MFCD09038471
InChI Key :	VPKZWIGZODEBDP-UHFFFAOYSA-N
Pubchem ID :	20487088

Safety of [ 405-03-8 ]

GHS Pictogram:
Signal Word:	Danger
Hazard Statements:	H225
Precautionary Statements:	P210-P403+P235
Class:	3
UN#:	1993
Packing Group:	Ⅲ

Application In Synthesis of [ 405-03-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 405-03-8 ]

[ 405-03-8 ] Synthesis Path-Downstream 1~35

1
[ 623-73-4 ]
[ 405-03-8 ]
C₁₂H₁₂F₂O₂ [ No CAS ]
(±)-trans-ethyl 2-(3,4-difluorophenyl)cyclopropanecarboxylate [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2009,vol. 52,p. 1885 - 1902.
[2]Journal of Organic Chemistry,2018,vol. 83,p. 7480 - 7490.

2
[ 34036-07-2 ]
[ 1779-49-3 ]
[ 405-03-8 ]

Yield	Reaction Conditions	Operation in experiment
		Methyltriphenylphosphonium bromide (251.31 g, 0.7037 mol), l,8-diazabicyclo[5.4.0]undec- 7-ene (117.84 g, 0.7741 mol) and toluene (250 ml) were taken into a clean and dry reaction assembly. The resulting mixture was heated at 40-45C, followed by stirring for 30 minutes. 3,4-Difluorobenzaldehyde (50 g, 0.3518 mol) was slowly added to the hot solution and the reaction mixture was heated at reflux temperature, followed by maintaining for 5 hours at reflux. After completion of the reaction, the mass was cooled to 25-30C, followed by washing with water (2 x 250 ml). The resulting mass was distilled under reduced pressure while maintaining the temperature at below 50C to give 3,4-difiuorostyrene.
		Example 1 Preparation of 3,4-Difluorostyrene Methyltriphenylphosphonium bromide (71 g, 0.2111 mol), 1,8-diazabicyclo[5.4.0]undec-7-ene (35.37 g, 0.2311 mol) and toluene (75 ml) were taken into a clean and dry reaction assembly. The resulting mixture was heated at 40-45 C., followed by stirring for 30 minutes. 3,4-Difluorobenzaldehyde (15 g, 0.1055 mol) was slowly added to the above hot solution and the reaction mixture was heated at reflux temperature, followed by maintaining for 6 hours at reflux. After completion of the reaction, the mass was cooled to 25-30 C., followed by washing with water (2*250 ml). The resulting mass was distilled under reduced pressure while maintaining the temperature at below 50 C. to give 3,4-difluorostyrene.
		General procedure: To a stirred suspension of methyltriphenylphosphonium bromide (1.61 g, 4.51 mmol, 1.5 equiv.)in 10 mL dry THF at -78 C under argon atmosphere, n-butyllithium (2.8 mL, 4.51 mmol, 1.6 Msolution in THF, 1.5 equiv.) was added dropwise. The yellow solution was allowed to stir for 15min. before addition of the 3,4 dimethoxybenzadehyde 5a (0.5 g, 3 mmol, 1 equiv.) in 5 mL dryTHF, upon which, the mixture turned white or pale yellow. After 2 h (or observed completion ofthe reaction by TLC), saturated ammonium chloride was added and the mixture extracted withCH2Cl2. The combined organic extracts were then dried (Na2SO4), and concentrated in vacuo. Evaporation of the solvent under reduced pressure gave the crude product. Purification by flashcolumn chromatography (Silica gel 230-400 mesh, 1-10% ethyl acetate/ petroleum ether)afforded the desired styrene 6a as a colorless liquid.

References: [1]Journal of Medicinal Chemistry,2009,vol. 52,p. 1885 - 1902.
[2]Patent: WO2012/1531,2012,A2 .Location in patent: Page/Page column 44-45.
[3]Patent: US2013/165696,2013,A1 .Location in patent: Paragraph 0274; 0275.
[4]Bioorganic and Medicinal Chemistry Letters,2018,vol. 28,p. 1056 - 1062.

3
[ 623-73-4 ]
[ 405-03-8 ]
[ 1006376-61-9 ]

Yield	Reaction Conditions	Operation in experiment
	dichloro(p-cymene)ruthenium(II) dimer; 2,6-bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine; In toluene; at 50 - 55℃;Product distribution / selectivity;	The solution of <strong>[405-03-8]3,4-difluorostyrene</strong> in toluene (obtained in example 5) was take into a clean and dry reaction assembly, followed by the addition of dichloro(/?-cymene)ruthenium(II) dimer (2.5 g) and (S,S)-2,6-bis(4-isopropyl-2-oxazolin-2-yl)pyridine (2.5 g) under stirring. The resulting solution was heated at 50-55C, followed by the addition of ethyl diazoacetate solution in toluene (obtained in example 6) over a period of 8 to 10 hours while maintaining the temperature between 50-55C. Upon complete addition, the reaction mass was further stirred for 10 hours at 50-55C, followed by cooling to 25-30C. Water (200 ml) was added to the cooled reaction mass, followed by stirring for 5 minutes. The layers were separated and the aqueous layer was extracted with toluene (200 ml). Both toluene layers were combined, followed by washing successively with water (300 ml), 50% acetic acid solution (300 ml) in water (300 ml). The toluene layer was evaporated under reduced pressure to obtain the crude ethyl (lR,2R)-trans-2-(3,4-difluorophenyl)-l -cyclopropanecarboxylate as an oil (50 g), which was directly used in next step.
	With [RhCl2(p-cymene)]2; acetic acid; 2,6-bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine; In water; toluene; at 50 - 55℃;	Example 3 Preparation of Ethyl (1R,2R)-trans-2-(3,4-difluorophenyl)-1-cyclopropanecarboxylate The solution of <strong>[405-03-8]3,4-difluorostyrene</strong> in toluene (obtained in example 1) was take into a clean and dry reaction assembly, followed by the addition of dichloro(p-cymene)ruthenium(II) dimer (1 g) and (S,S)-2,6-bis(4-isopropyl-2-oxazolin-2-yl)pyridine (1 g) under stirring. The resulting solution was heated at 50-55 C., followed by the addition of ethyl diazoacetate solution in toluene (obtained in example 2) over a period of 8 to 10 hours while maintaining the temperature between 50-55 C. After completion of the addition process, the reaction mass was further stirred for 1 hour at 50-55 C., followed by cooling to 25-30 C. Water (100 ml) was added to the cooled reaction mass, followed by stirring for 5 minutes. The layers were separated and the aqueous layer was extracted with toluene (100 ml). The both toluene layers were combined, followed by washing of the combined toluene layer with water (100 ml) and 50% acetic acid solution (100 ml) in water (100 ml). The toluene layer was evaporated under reduced pressure to obtain the crude ethyl (1R,2R)-trans-2-(3,4-difluorophenyl)-1-cyclopropanecarboxylate as an oil (19.5 g) which was directly used in next step.

References: [1]Patent: WO2012/1531,2012,A2 .Location in patent: Page/Page column 45.
[2]Patent: US2013/165696,2013,A1 .Location in patent: Paragraph 0278; 0279.

4
[ 405-03-8 ]
(1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine [ No CAS ]

References: [1]Patent: WO2012/1531,2012,A2 .
[2]Patent: WO2012/1531,2012,A2 .
[3]Patent: US2013/165696,2013,A1 .
[4]Patent: US2013/165696,2013,A1 .
[5]Patent: CN103965059,2017,B .

5
[ 405-03-8 ]
[ 220352-36-3 ]

References: [1]Patent: WO2012/1531,2012,A2 .
[2]Patent: US2013/165696,2013,A1 .

6
[ 405-03-8 ]
C₁₀H₇F₂NO [ No CAS ]

References: [1]Patent: WO2012/1531,2012,A2 .

7
[ 405-03-8 ]
[ 1353964-60-9 ]

References: [1]Patent: WO2012/1531,2012,A2 .
[2]Patent: US2013/165696,2013,A1 .

8
[ 405-03-8 ]
[ 1353964-63-2 ]

References: [1]Patent: WO2012/1531,2012,A2 .
[2]Patent: US2013/165696,2013,A1 .

9
[ 405-03-8 ]
trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropylamine tartrate [ No CAS ]