[ CAS No. 772-31-6 ] {[proInfo.proName]}

Name: 772-31-6|Cyclopropyl(4-fluorophenyl)methanone|97%
Brand: Ambeed
SKU: A232628
Price: 9.0 USD
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Quality Control of [ 772-31-6 ]

COA NMR CNMR HPLC LC-MS

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Product Details of [ 772-31-6 ]

CAS No. :	772-31-6	MDL No. :	MFCD00013728
Formula :	C₁₀H₉FO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MHKHJIJXMVHRAJ-UHFFFAOYSA-N
M.W :	164.18	Pubchem ID :	69876
Synonyms :

Safety of [ 772-31-6 ]

Signal Word:	Danger	Class:	3
Precautionary Statements:	P261-P305+P351+P338	UN#:	1993
Hazard Statements:	H225-H315-H319-H335	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 772-31-6 ]

* 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.

Upstream synthesis route of [ 772-31-6 ]
Downstream synthetic route of [ 772-31-6 ]

[ 772-31-6 ] Synthesis Path-Upstream 1~3

1
[ 3874-54-2 ]
[ 772-31-6 ]
[ 7152-03-6 ]

Reference： [1] Pharmazie, 1980, vol. 35, # 3, p. 140 - 143

2
[ 5500-21-0 ]
[ 460-00-4 ]
[ 772-31-6 ]

Reference： [1] Chemical Communications, 2013, vol. 49, # 32, p. 3351 - 3353

3
[ 462-06-6 ]
[ 4635-59-0 ]
[ 772-31-6 ]

Reference： [1] Chemische Berichte, 1963, vol. 96, p. 2532 - 2536

[ 772-31-6 ] Synthesis Path-Downstream 1~88

1
[ 772-31-6 ]
[ 827-88-3 ]

Reference： [1]Journal of Medicinal Chemistry,2019,vol. 62,p. 9488 - 9520
[2]Chemische Berichte,1963,vol. 96,p. 2532 - 2536
[3]Organic Letters,2003,vol. 5,p. 3655 - 3658
[4]Patent: WO2019/46931,2019,A1 .Location in patent: Paragraph 00282

2
[ 4595-59-9 ]
[ 772-31-6 ]
[ 93765-39-0 ]

Reference： [1]Journal of Medicinal Chemistry,1987,vol. 30,p. 1359 - 1365

3
[ 3874-54-2 ]
[ 772-31-6 ]
[ 7152-03-6 ]

Reference： [1]Pharmazie,1980,vol. 35,p. 140 - 143

4
[ 288-32-4 ]
[ 772-31-6 ]
[ 107454-32-0 ]

Reference： [1]Journal of Organic Chemistry,1987,vol. 52,p. 1863 - 1867

5
[ 772-31-6 ]
[ 1779-49-3 ]
[ 827-87-2 ]

Reference： [1]Journal of Organic Chemistry,2016,vol. 81,p. 9992 - 10001
[2]Angewandte Chemie - International Edition,2020,vol. 59,p. 12186 - 12191
Angew. Chem.,2020,vol. 132,p. 12284 - 12289,6
[3]Organic Letters,2020,vol. 22,p. 7383 - 7386
[4]Journal of Organic Chemistry,1965,vol. 30,p. 942 - 943

6
[ 772-31-6 ]
[ 40862-32-6 ]

Reference： [1]Journal of the American Chemical Society,1996,vol. 118,p. 5846 - 5856

7
[ 7677-24-9 ]
[ 772-31-6 ]
Cyclopropyl-(4-fluoro-phenyl)-trimethylsilanyloxy-acetonitrile [ No CAS ]

Reference： [1]Zeitschrift fur Naturforschung, B: Chemical Sciences,1998,vol. 53,p. 296 - 306

8
[ 617-35-6 ]
[ 772-31-6 ]
4-(4-fluorobenzoyl)-3-methyl-5,6-dihydropyran-2-one [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2005,vol. 70,p. 10082 - 10085

9
(E)-1-phenyl-2-buten-1-one [ No CAS ]
[ 772-31-6 ]
((1RS,2SR,3RS)-3-benzoyl-2-methylcyclopentyl)(4-fluorophenyl)methanone [ No CAS ]
((1S,2S,3R)-3-Benzoyl-2-methyl-cyclopentyl)-(4-fluoro-phenyl)-methanone [ No CAS ]
((1RS,3RS)-2-methylcyclopentane-1,3-diyl)bis((fluorophenyl)methanone) [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2006,vol. 128,p. 5348 - 5349

10
[ 772-31-6 ]
[ 132559-71-8 ]
((1RS,3RS)-2-methylcyclopentane-1,3-diyl)bis((fluorophenyl)methanone) [ No CAS ]
((1RS,2SR,3RS)-3-benzoyl-2-hexylcyclopentyl)(4-fluorophenyl)methanone [ No CAS ]
((1R,2R,3S)-3-Benzoyl-2-hexyl-cyclopentyl)-(4-fluoro-phenyl)-methanone [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2006,vol. 128,p. 5348 - 5349

11
[ 772-31-6 ]
(R)-Cyclopropyl-(4-fluoro-phenyl)-methanol [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2006,vol. 71,p. 9484 - 9486

12
[ 772-31-6 ]
((1RS,3RS)-2-methylcyclopentane-1,3-diyl)bis((fluorophenyl)methanone) [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2006,vol. 128,p. 5348 - 5349

13
[ 772-31-6 ]
[ 614-47-1 ]
((1RS,3RS)-2-methylcyclopentane-1,3-diyl)bis((fluorophenyl)methanone) [ No CAS ]
((1S,2R,3S)-3-Benzoyl-2-phenyl-cyclopentyl)-(4-fluoro-phenyl)-methanone [ No CAS ]
((1RS,2RS,3SR)-3-benzoyl-2-phenylcyclopentyl)(4-fluorophenyl)methanone [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2006,vol. 128,p. 5348 - 5349

14
[ 772-31-6 ]
[ 4301-14-8 ]
[ 937237-78-0 ]

Reference： [1]Journal of the American Chemical Society,2007,vol. 129,p. 5175 - 5179

15
[ 120-72-9 ]
[ 772-31-6 ]
1-(4-fluorophenyl)-4-(1H-indol-3-yl)butan-1-one [ No CAS ]

Reference： [1]Tetrahedron Letters,2007,vol. 48,p. 8040 - 8042

16
[ 10075-50-0 ]
[ 772-31-6 ]
4-(5-bromo-[1H]-3-indolyl)-1-(4-fluorophenyl)-1-butanone [ No CAS ]

Reference： [1]Tetrahedron Letters,2007,vol. 48,p. 8040 - 8042

17
[ 772-31-6 ]
C₁₂H₁₁OF [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2007,vol. 129,p. 5175 - 5179

18
[ 772-31-6 ]
C₁₈H₁₆NF [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2007,vol. 129,p. 5175 - 5179

19
[ 772-31-6 ]
[ 536742-61-7 ]

Reference： [1]Organic Letters,2003,vol. 5,p. 3655 - 3658

20
[ 772-31-6 ]
1-((E)-4-Azido-but-1-enyl)-4-fluoro-benzene [ No CAS ]

Reference： [1]Organic Letters,2003,vol. 5,p. 3655 - 3658

21
[ 772-31-6 ]
[ 618068-66-9 ]

Reference： [1]Organic Letters,2003,vol. 5,p. 3655 - 3658

22
[ 772-31-6 ]
trifluoro-methanesulfonic acid 1-(4-fluoro-phenyl)-pyrrolidin-3-yl ester [ No CAS ]

Reference： [1]Organic Letters,2003,vol. 5,p. 3655 - 3658

23
[ 772-31-6 ]
[ 518976-10-8 ]

Reference： [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 1523 - 1530

24
[ 772-31-6 ]
cyclopropyl-(4-(4-(piperidinomethyl)benzyloxy)phenyl)methanone [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 1523 - 1530

25
[ 772-31-6 ]
[ 184025-18-1 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2000,vol. 10,p. 2379 - 2382
[2]Archiv der Pharmazie,2000,vol. 333,p. 315 - 316

26
[ 772-31-6 ]
4-Butylphenyl 3-(1H-imidazol-4-yl)propyl ether [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2000,vol. 10,p. 2379 - 2382

27
[ 772-31-6 ]
4-hydroxy-1-{4-[3-(1<i>H</i>-imidazol-4-yl)-propoxy]-phenyl}-butan-1-one [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2000,vol. 10,p. 2379 - 2382
[2]Bioorganic and Medicinal Chemistry Letters,2000,vol. 10,p. 2379 - 2382

28
[ 772-31-6 ]
N-(4-p-fluorophenyl-4-oxobutyl)-4-(p-chlorophenyl)-3,4-epoxypiperidine [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1996,vol. 118,p. 5846 - 5856

29
[ 772-31-6 ]
[ 111448-58-9 ]

Reference： [1]Patent: US3238216,1966,A
Chem.Abstr.,1966,vol. 65
Chem.Abstr.,1966,vol. 65

30
[ 799557-59-8 ]
[ 772-31-6 ]
1-isopropyl-4-[1-(4-cyclopropylcarbonylphenyl)-piperidine-4-carbonyl]-piperazine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; In dimethyl sulfoxide; at 140℃; for 2h;	To 1-ISOPROPYL-4-(PIPERIDINE-4-CARBONYL)-PIPERAZINE (D1) (0.25g) and cyclopropyl-4- fluorophenyl ketone (0.3g), dissolved in DMSO (5ml) was added potassium carbonate (0.37g). The reaction was heated to 140C for 2h. After cooling the mixture, the inorganics were filtered off. The filtrate was diluted with MEOH (20ML) and then poured onto a 1 OG ISOLUTE SCX column which was washed with MEOH (50ML). The product was eluted with 10% ammonia in MEOH (50MI), and then further purified by column chromatography (silica gel, step gradient 0-10% MEOH (containing 10% 0.88 ammonia solution) in DCM]. Fractions containing the required product were evaporated to give the free base which was dissolved in MEOH (4ML) and treated with 1 N HCI in diethyl ether (2ML) to give the title compound (E105) as a solid (51MG). 1H NMR 8 [DMSO-d6]: 0.93 (4H, m) 1.27 (6H, d, J=6.4Hz), 1.5-1. 8 (2H, m), 2.77-3. 14 (7H, m), 3.38-3. 48 (2H, m), 3.92-4. 56 (4H, m), 6.98 (2H, d, J=9.2Hz), 7.89 (2H, d, J=9.2Hz), 10.6 (1 H, BR S). MS electrospray ; (+ve ion) 384 (MH+).

Reference： [1]Patent: WO2004/101546,2004,A1 .Location in patent: Page 55-56

31
[ 772-31-6 ]
(E)-cyclopropyl(4-fluorophenyl)methanone oxime [ No CAS ]
C₁₀H₁₀FNO [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With pyridine; hydroxylamine hydrochloride; at 20℃; for 24h;	A mixture of cyclopropyl- (4-fluorophenyl) methanone (Aldrich Chemical Company) (6.56g, 40MMOL, 1EQ), HYDROXYLAMINE HYDROCHLORIDE (4.45g, 64MMOL, 1.6eq) and pyridine (30mL) was stirred at room temperature for 24hrs. The reaction mixture was concentrated to dryness in vacuo and the residue partitioned between ethyl acetate and water. The organic phase was washed with water and saturated aqueous brine, dried over magnesium sulphate and then CONCENTRATED IN VACUO. The residue was purified by chromatography on silica gel eluting with ethyl acetate/hexane (1: 5 to 1: 2 gradient elution) to give the title compound as a colourless oil (6. 0g, 84%). Product a 2: 1 mixture of the E and Z geometric isomers ; 1 H NMR (400MHZ, DMSO d6) 0.49-0. 51 (m), 0. 68- 0.70 (m), 0.74-0. 76 (m), 0.86-0. 89 (m) (4H in total), 1. 68-1. 70 (m), 2.11-2. 15 (m) (1H in total), 7.11-7. 22 (m), 7.40-7. 44 (m), 7.53-7. 57 (m) (4H in total).

Reference： [1]Patent: WO2005/14575,2005,A1 .Location in patent: Page/Page column 23

32
[ 772-31-6 ]
[ 106-95-6 ]
α-cyclopropyl-4-fluoro-α-(2-propenyl)benzenemethanol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
255.7 parts (62%)	With magnesium; In diethyl ether; water;	EXAMPLE I To a stirred and cooled (2-propanone/CO2 -bath)Grignard complex previously prepared starting from 254.1 parts of 3-bromo-1-propene, 54.7 parts of magnesium and 1540 parts of anhydrous 1,1'-oxybisethane was added dropwise, during a 1 hour-period, a solution of 330 parts of cyclopropyl (4-fluorophenyl)methanone in 280 parts of anhydrous 1,1'-oxybisethane at a temperature below -5 C. The reaction mixture was allowed to reach room temperature and stirring was continued overnight at room temperature. The mixture was cooled to 0 C. and decomposed with 350 parts of a saturated ammonium chloride solution. The 1,1'-oxybisethane was decanted and the residual salts were suspended twice in 140 parts of 1,1'-oxybisethane. The latter was decanted and the combined 1,1'-oxybisethane-phases were washed with 500 parts of water. The organic phase was dried, filtered and evaporated. From the residue, the forerun was distilled off by "Spinning Band". The distillation residue yielded 255.7 parts (62%) of α-cyclopropyl-4-fluoro-α-(2-propenyl)benzenemethanol (intermediate 1). Following the same Grignard procedure and starting from the appropriate ketones or aldehydes there were also prepared: 4-fluoro-α-(2-propenyl)benzenemethanol; bp. 75-80 C. at 1 mm. pressure (intermediate 2); and

Reference： [1]Patent: US4962115,1990,A

33
[ 772-31-6 ]
[ 127-17-3 ]
4-(4-fluorobenzoyl)-3-methyl-5,6-dihydropyran-2-one [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2006,vol. 4,p. 4131 - 4134

34
[ 772-31-6 ]
[ 40132-01-2 ]

Reference： [1]Journal of Organic Chemistry,2008,vol. 73,p. 3535 - 3538

35
[ 772-31-6 ]
[ 536-74-3 ]
[ 1109231-83-5 ]

Reference： [1]Journal of Organic Chemistry,2009,vol. 74,p. 5887 - 5893
[2]Journal of Organic Chemistry,2009,vol. 74,p. 1740 - 1743

36
[ 772-31-6 ]
[ 73183-34-3 ]
[ 1140910-88-8 ]

Reference： [1]Journal of Organic Chemistry,2009,vol. 74,p. 3196 - 3198

37
[ 1945-84-2 ]
[ 772-31-6 ]
[ 1181658-08-1 ]

Reference： [1]Journal of Organic Chemistry,2009,vol. 74,p. 5887 - 5893

38
[ 772-31-6 ]
[ 3032-92-6 ]
[ 1181658-12-7 ]

Reference： [1]Journal of Organic Chemistry,2009,vol. 74,p. 5887 - 5893

39
[ 772-31-6 ]
[ 74331-69-4 ]
[ 1181658-07-0 ]

Reference： [1]Journal of Organic Chemistry,2009,vol. 74,p. 5887 - 5893

40
[ 772-31-6 ]
[ 2181-42-2 ]
[ 1147939-86-3 ]

Yield	Reaction Conditions	Operation in experiment
		Example 34 Preparation of 2-cvclopropyl-2-(4-fluorophenyl)oxirane[0399] The title compound was prepared by following general procedure 3 DMSO was added to NaH (1 equiv ) and heated to 65 0C for 1 h THF was added at the same temperature and heated for another 10 mm After 10 mm , the reaction mixture was cooled to 00C Tϖmethylsulfomum iodide (1 equiv ) was added and stirred for 10 mm after which the solution of cyclopropyl (4-fluorophenyl) methanone (1 equiv ) in THF was added dropwise After complete addition, the reaction mixture was stirred at RT for 2 h The product was detected by LCMS and the reaction mixture was poured into ice water, extracted in diethyl ether (4 x 50 mL), dried over Na2SO4 and concentrated at 25 0C to obtain the product
		Example 38 A [0464] DMSO was added to NaH (1 equiv) and heated to 65 0C for 1 h. THF was added at same temp, and heated for another 10 min. After 10 min, reaction mixture was cooled to 0 0C. Trimethylsulfonium iodide (1 equiv) was added and stirred for 10 min after which the solution of <strong>[772-31-6]cyclopropyl(4-fluorophenyl)methanone</strong> (1 equiv) in THF was added dropwise. After complete addition, reaction mixture was stirred at RT for 2 h. Product was detected by LCMS. Reaction mixture was poured in ice water. Product was extracted with diethyl ether (4x50 mL), dried over sodium sulfate and concentrated under vacuum at 25 0C to get the product. 1H NMR (CDCl3, freebase) d (ppm): 7.05 (m, 4H), , 2.9 (d, IH), 2.7 (d, IH), 0.87 (m, IH), 0.61 (m, 2H), 0.45 (m, 2H).

Reference： [1]Patent: WO2010/51503,2010,A1 .Location in patent: Page/Page column 257
[2]Patent: WO2010/51501,2010,A1 .Location in patent: Page/Page column 255

41
[ 772-31-6 ]
[ 1560-54-9 ]
[ 1258388-50-9 ]
(E)-1-(1-cyclopropylbuta-1,3-dienyl)-4-fluorobenzene [ No CAS ]

Reference： [1]Organic Letters,2011,vol. 13,p. 134 - 137

42
[ 503-17-3 ]
[ 772-31-6 ]
[ 1355648-57-5 ]

Reference： [1]Angewandte Chemie - International Edition,2011,vol. 50,p. 12067 - 12070

43
[ 772-31-6 ]
cyclopropyl(2-hydroxy-4-fluorophenyl)methanone [ No CAS ]

Reference： [1]Organic Letters,2013,vol. 15,p. 270 - 273

44
[ 71637-37-1 ]
[ 772-31-6 ]
[ 1429308-74-6 ]

Reference： [1]Chemical Communications,2013,vol. 49,p. 3351 - 3353

45
[ 13781-53-8 ]
[ 772-31-6 ]
[ 1429308-76-8 ]

Reference： [1]Chemical Communications,2013,vol. 49,p. 3351 - 3353

46
[ 20893-30-5 ]
[ 772-31-6 ]
[ 1429308-59-7 ]

Reference： [1]Chemical Communications,2013,vol. 49,p. 3351 - 3353

47
[ 5500-21-0 ]
[ 460-00-4 ]
[ 772-31-6 ]

Reference： [1]Chemical Communications,2013,vol. 49,p. 3351 - 3353

48
[ 772-31-6 ]
[ 1576-35-8 ]
[ 1356251-77-8 ]

Yield	Reaction Conditions	Operation in experiment
	In ethanol;Reflux; Inert atmosphere;	General procedure: To a rapidly stirred suspension of p-toluenesulfonylhydrazide (10 mmol) in ethanol (10 mL) was added ketone (10 mmol).The resultant mixture was refluxed for 2-20 h and allowed to cool to ambienttemperature or 0 C, and thenthe product was precipitated. The crystalline product was collected byfiltration and washed thoroughly with pre-cooled diethyl ether.

Reference： [1]Tetrahedron Letters,2013,vol. 54,p. 6485 - 6489

49
[ 772-31-6 ]
(2-chlorophenyl)(4-(2-hydroxyethyl)piperazin-1-yl)methanone [ No CAS ]
[ 144-62-7 ]
(4-(2-(4-(2-chlorobenzoyl)piperazin-1-yl)ethoxy)phenyl)(cyclopropyl)methanone oxalate [ No CAS ]