[ CAS No. 51791-12-9 ] {[proInfo.proName]}

Name: 51791-12-9|3-(Chloromethyl)-1,2,4-oxadiazole|95%
Brand: Ambeed
SKU: A210609
Rating: 92 (30 reviews)

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type	HazMat fee for 500 gram (Estimated)
Excepted Quantity	USD 0.00
Limited Quantity	USD 15-60
Inaccessible (Haz class 6.1), Domestic	USD 80+
Inaccessible (Haz class 6.1), International	USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic	USD 100+
Accessible (Haz class 3, 4, 5 or 8), International	USD 200+

2D 3D

Structure of 51791-12-9 * Storage: {[proInfo.prStorage]}

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 51791-12-9 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 51791-12-9 ]

SDS Specification

Alternatived Products of [ 51791-12-9 ]

Product Details of [ 51791-12-9 ]

CAS No. :	51791-12-9	MDL No. :	MFCD00052097
Formula :	C₃H₃ClN₂O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YSNKGJCEHOJIDK-UHFFFAOYSA-N
M.W :	118.52	Pubchem ID :	2735765
Synonyms :

Calculated chemistry of [ 51791-12-9 ]

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.33
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	24.06
TPSA :	38.92 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.63 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.39
Log Po/w (XLOGP3) :	0.56
Log Po/w (WLOGP) :	0.66
Log Po/w (MLOGP) :	-0.13
Log Po/w (SILICOS-IT) :	1.6
Consensus Log Po/w :	0.81

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.39
Solubility :	4.83 mg/ml ; 0.0407 mol/l
Class :	Very soluble
Log S (Ali) :	-0.95
Solubility :	13.3 mg/ml ; 0.112 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.84
Solubility :	1.73 mg/ml ; 0.0146 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.09

Safety of [ 51791-12-9 ]

Signal Word:	Danger	Class:	8
Precautionary Statements:	P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501	UN#:	3265
Hazard Statements:	H302-H314	Packing Group:	Ⅱ
GHS Pictogram:

Application In Synthesis of [ 51791-12-9 ]

* 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 [ 51791-12-9 ]
Downstream synthetic route of [ 51791-12-9 ]

[ 51791-12-9 ] Synthesis Path-Upstream 1~1

1
[ 3272-96-6 ]
[ 149-73-5 ]
[ 51791-12-9 ]

Reference： [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1973, p. 2241 - 2249

[ 51791-12-9 ] Synthesis Path-Downstream 1~31

1
[ 3272-96-6 ]
[ 149-73-5 ]
[ 51791-12-9 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1973,p. 2241 - 2249

2
[ 603-35-0 ]
[ 51791-12-9 ]
[ 51640-58-5 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1973,p. 2241 - 2249

3
4-[3,5bis(trifluoromethyl)benzyloxymethyl]-4-phenylpiperidine hydrochloride [ No CAS ]
[ 51791-12-9 ]
4-[3,5-bis(trifluoromethyl)benzyloxymethyl]-1-[1,2,4]oxadiazol-3-ylmethyl-4-phenylpiperidine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 4623 - 4635

5
cis-(+/-)-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one [ No CAS ]
[ 51791-12-9 ]
cis-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,6,7,8,8a-hexahydro-1H-phthalazin-2-yl]acetonitrile [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2002,vol. 45,p. 2520 - 2525

6
[ 1193-02-8 ]
[ 51791-12-9 ]
[ 74955-39-8 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In tetrahydrofuran; at 20℃; for 18h;	A solution of 4-aminothiophenol (1.0 g), <strong>[51791-12-9]3-chloromethyl-1,2,4-oxadiazole</strong> (1.0 g) and triethylamine (1.1 ml) in THF (10 ml) was stirred at room temperature for 18 hours. To the reaction solution was added water, and the mixture was extracted with ethyl acetate. The organic layer was washed with saturated brine, dried over magnesium sulfate and concentrated under reduced pressure, and the obtained residue was separated and purified by column chromatography (ethyl acetate:hexane 1:3 ? 1:2), to give 4-(1,2,4-oxadiazol-3-ylmethylthio)aniline (1.36 g) as pale yellow oil. 1H-NMR (200 MHz, CDCl3) delta 3.63 to 3.84 (2H, m), 4.02 (2H, s), 6.59 (2H, d, J = 8.4 Hz), 7.21 (2H, d, 8.4 Hz), 8.65 (1H, s). IR (neat) 3357, 1624, 1597, 1551, 1497, 1341, 1287, 1179, 1109, 827, 739 cm-1

Reference： [1]Patent: EP1422228,2004,A1 .Location in patent: Page 190

7
[ 51791-12-9 ]
[ 666752-86-9 ]

Yield	Reaction Conditions	Operation in experiment
		Example 26 2-[[(2,3-Difluorophenyl)methyl]thio]-6-[[(1R)-2-hydroxy-1-methylethyl]amino]-5-[(1, 2,4- [OXADIAZOL-3-YLMETHYL) THIO]-4-PYRIMIDINOL] The product of Example 5 (0.2g) was dissolved in ethanol (10ml), sodium borohydride (20mg) added and the reaction stirred for [LH.] IM sodium hydroxide solution (2ml) was then added, followed by 3-(chloromethyl)-1, 2,4-oxadiazole (62mg). The mixture was stirred for 2h, acidified with 10% hydrochloric acid, extracted with EtOAc [(2X20ML),] dried [(MGS04),] filtered and the filtrate evaporated in vacuo. The residue was purified by reverse phase HPLC with gradient elution in acetonitrile/0.02M ammonium hydroxide (95% to 25% aqueous phase, Ex-Terra) to yield the title product as a white solid. Yield 20mg. MS APCI (+ve) 442 [M+H] [+] ['H NMR 8 (DMSO)] 12.21 [(1H,] s), 9.47 [(1H,] s), 7.41-7. 27 (2H, [M),] 7.18 (1H, [M),] 6.18 (1H, [M),] 4.79 [(1H,] t), 4. 44 (2H, dd), 4.06 [(LH,] [M),] 3.84 (2H, dd), 3.38-3. 23 (2H, [M),] 0.94 (3H, d)

Reference： [1]Patent: WO2004/18435,2004,A1 .Location in patent: Page 51

8
[ 99793-84-7 ]
[ 51791-12-9 ]
[ 524699-95-4 ]

Yield	Reaction Conditions	Operation in experiment
43.1%	With potassium iodide; potassium carbonate; In N-methyl-acetamide; water;	EXAMPLE 18 Potassium carbonate (279 mg, 2.02 mmol) and potassium iodide (335 mg, 2.02 mmol) was added to a solution of 1,5-bis(4-methoxyphenyl)-1H-1,2,4-triazol-3-ol (200 mg, 0.673 mmol) in dimethylformamide (2 mL). After 5 minutes stirring, <strong>[51791-12-9]3-(chloromethyl)-1,2,4-oxadiazole</strong> (239 mg, 2.02 mmol) was added to the mixture and the mixture was heated at 100 C. for 1 hour. After cooling, ethyl acetate and water were poured into the mixture. The organic layer was separated, washed with water and brine, and dried over magnesium sulfate. The solvent was removed under reduced pressure. The residue was purified by preparative-TLC (toluene-ethyl acetate 4:1). The desired product was triturated with isopropylether, isolated by filtration, and dried in vacuo to give 3-([1,5-bis(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]oxy}meth yl)-1,2,4-oxadiazole (110 mg, 43.1% yield). 1H NMR (CDCl3, ppm) delta3.80(3H, s), 3.85(3H, s), 5.59(2H, s), 6.75-6.85(2H, m), 6.85-7.05(2H, m), 7.20-7.35(2H, m), -7.50(2H, m), 8.76(1H, s), MS (ESI, m/e) 380(M+1)

Reference： [1]Patent: US2003/191155,2003,A1

9
[ 367510-64-3 ]
[ 51791-12-9 ]
S,S-6-Methoxy-1-methyl-7-[(1-[1,2,4]oxadiazol-3-ylmethyl-2-phenyl-piperidin-3-ylamino)-methyl]-3,4-dihydro-1H-quinolin-2-one dihydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
63%	With diisopropylamine; In acetonitrile;	EXAMPLE 52 S,S-6-Methoxy-1-methyl-7-[(1-[1,2,4]oxadiazol-3-ylmethyl-2-phenyl-piperidin-3-ylamino)-methyl]-3,4-dihydro-1H-quinolin-2-one dihydrochloride Combined 95 mg of S, S-6-methoxy-1-methyl-7-[(2-phenyl-piperidin-3-ylamino)-methyl]-3,4-dihydro-1H-quinolin-2-one (0.25 mmol) with 30 mg of <strong>[51791-12-9]3-(chloromethyl) [1,2,4] oxadiazole</strong> (0.25 mmol), 105 mul of diisopropylamine and 2 ml of acetonitrile and shaken overnight. Removed solvent in vacuo, partitioned residue two times between CH2Cl2 and saturated NaHCO3. The organic layer was dried (MgSO4) and the solvent was evaporated under reduced pressure. The yellow gum was purified by flash chromatography on 230-400 A mesh silica gel, eluding with 95:5 CH2Cl2/CH3OH to give 73 mg of product (63%). 1H NMR (400 MHz, CD3OD) delta1.49 (1H, m), 2.03 (2H, m), 2.30 (1H, m), 2.52 (2H, m), 2.67 (1H, s), 2.80 (2H, m), 3.08 (1H, d, J=11.0 Hz), 3.20 (3H, s), 3.33 (3H, m), 3.44 (3H, s), 3.59 (1H, d, J=13.7 Hz), 3.63 (1H, d, J=2.9 Hz), 3.81 (1H, d, J=14.7), 6.62 (1H, s), 6.74 (1H, s), 7 27 (1H, t, J=7.3 Hz), 7.33 (2H, m), 7.41 (2H, d, J=6.9 Hz), 9.10 (1H, s). M/z (APCI+) 462.1 (M+1). HPLC (aqueous 200 mM ammonium acetate buffer/acetonitrile gradient, 3.0 ml/min, Hewlett Packard ODS Hypersil 5 uM, 125*4 mm column) 4.461.

Reference： [1]Patent: US2003/87925,2003,A1

10
[ 136918-14-4 ]
[ 51791-12-9 ]
[ 370107-81-6 ]

Yield	Reaction Conditions	Operation in experiment
83%	With tetra-(n-butyl)ammonium iodide; caesium carbonate; In water; N,N-dimethyl-formamide;	Step 4-1 Phthalimide (892 mg, 6.01 mmol) was dissolved in DMF (10 mL) followed by addition of <strong>[51791-12-9]3-(chloromethyl)-1,2,4-oxadiazole</strong> (713 mg, 6.01 mmol), cesium carbonate (2.95 g, 9.02 mmol) and tetrabutylammonium iodide (3.35 g, 8.02 mmol), and then the mixture was stirred at room temperature for 2.5 hours. Water was added to the reaction mixture, and the resulting precipitate was collected by filtration and dried under reduced pressure to give N-(1,2,4-oxadiazol-3-ylmethyl)phthalimide (1.15 g; yield 83%). ESI-MS m/z: 176 [M+H]+; 1H-NMR (CDCl3)delta(ppm): 5.09 (s, 2H), 7.77 (m, 2H), 7.92 (m, 2H), 8.68 (s, 1H).

Reference： [1]Patent: US2003/216362,2003,A1

11
[ 290296-93-4 ]
[ 51791-12-9 ]
N-(3,5-Bis-trifluoromethyl-benzyl)-N-methyl-6-(4-[2,4]oxadiazol-3-ylmethyl-piperazin-1-yl)-4-o-tolyl-nicotinamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
80 mg (34.7%)	With potassium carbonate; In acetonitrile;	EXAMPLE 57 N-(3,5-Bis-trifluoromethyl -benzyl)-N-methyl-6-(4-[2,4]oxadiazol-3-ylmethyl-piperazin-1-yl)-4-o-tolyl-nicotinamide A mixture of 200 mg (0.373 mmol) N-(3,5-bis-trifluoromethyl-benzyl)-N-methyl-6-piperazin-1-yl-4-o-tolyl-nicotinamide (Example 53), 66 mg (0.56 mmol) <strong>[51791-12-9]3-(chloromethyl)-1,2,4-oxadiazole</strong> and 62 mg (0.45 mmol) potassium carbonate in 4 ml acetonitrile was stirred at 45 C. for 1 h and at room temperature over night. The reaction mixture was diluted with 10 ml water and extracted with 3 30-ml portions of dichloromethane. Drying with sodium sulfate and concentration gave 244 mg of the crude product. Flash column chromatography afforded 80 mg (34.7%) of the title compound as a red-brown solid. MS m/e (%): 619 (M+H+, 100).

Reference： [1]Patent: US6297375,2001,B1

12
[ 740783-39-5 ]
[ 51791-12-9 ]
6-(Dipropylamino)-6,7-dihydro-2-(1,2,4-oxadiazol-3-ylmethyl)cyclopent[f]isoindole-1,3(2H,5H)-dione [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		EXAMPLE 53 6-(Dipropylamino)-6,7-dihydro-2-(1,2,4-oxadiazol-3-ylmethyl)cyclopent[f]isoindole-1,3(2H,5H)-dione 100 Using procedure 48, 6-(dipropylamino)-6,7-dihydrocyclopent[f]isoindole-1,3(2H,5H)-dione (93, 0.14 g, 0.5 mmol) was treated with <strong>[51791-12-9]3-(chloromethyl)-1,2,4-oxadiazole</strong> (0.09 g, 0.75 mmol). Purification using silica gel, eluding with 7:1 CH2 Cl2 /acetone, afforded a solid that was converted to an HCl salt and recrystallized from CH2 Cl2 /Et2 O to give 100 as a white solid (m.p. 190-191 C.).

Reference： [1]Patent: US6084130,2000,A

13
[ 882563-09-9 ]
[ 51791-12-9 ]
5-chloro-4-(1H-indol-3-yl)-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium carbonate; In N,N-dimethyl-formamide; at 85℃; for 2h;	To a solution of Example 32 (114 mg) and 3-(chloromethyl)-l,2,4-oxadiazole (44 mg) in dry DMF (3 ml) was added Na2CO3 (51 mg). This mixture was stirred at 85C for 2 hours and the solvent removed in vacuo. The residue was purified by column chromatography on silica eluting with 0-5% MeOH/DCM to give the title compound as a white solid (25 mg). LCMS 410/412 [M+H]+, RT 1.96 min. 1H NMR 300 MHz (d6- DMSO) 12.35 (1H, s), 9.60 (1H, s), 8.60 (1H, s, br), 8.50 (1H, s), 8.20 (1H, s), 7.50 (1H, d), 7.30-7.05 (3H, m), 3.75 (3H, s, br), 2.90 (2H, d), 2.34-2.15 (2H, m), 2.05-1.70 (2H, m), 1.65-1.40 (2H, m).

Reference： [1]Patent: WO2006/38001,2006,A1 .Location in patent: Page/Page column 106-107

14
[ 106-53-6 ]
[ 51791-12-9 ]
3-(4-bromophenylthiomethyl)-1,2,4-oxadiazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium; In ethanol;	EXAMPLE 3 3-(4-Bromophenylthiomethyl)-1,2,4-oxadiazole Sodium (1.27 g) was dissolved in absolute ethanol (50 ml) and to this was added 4-bromothiophenol (11.18 g). When a solution had formed <strong>[51791-12-9]3-chloromethyl-1,2,4-oxadiazole</strong> (6.5 g) was added dropwise with stirring over ten minutes, stirring was continued for a further 30 minutes, sodium chloride removed by filtration, the filtrate evaporated under reduced pressure and the residue recrystallized from isopropanol to give 3-(4-bromophenylthiomethyl)-1,2,4-oxadiazole, m.p. 56.

Reference： [1]Patent: US4294842,1981,A

15
[ 137-07-5 ]
[ 51791-12-9 ]
[ 74088-83-8 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium; In ethanol;	EXAMPLE 3 3-(2-Aminophenylthiomethyl)-1,2,4-oxadiazole Sodium (1.27 g; 0.055 mol) was dissolved in absolute ethanol (50 ml) and to this was added 2-aminothiophenol (7.38 g; 0.059 mol). To the resulting solution was added <strong>[51791-12-9]3-chloromethyl-1,2,4-oxadiazole</strong> (6.59 g; 0.055 mol) dropwise over 10 minutes. The resulting mixture was then stirred at ambient temperature for 30 minutes, sodium chloride removed by filtration and the filtrate was evaporated to dryness under reduced pressure to give 3-(2-aminophenylthiomethyl)-1,2,4-oxadiazole which was re-crystallized from isopropanol; m.p. 57.

Reference： [1]Patent: US4294843,1981,A

16
[ 51791-12-9 ]
3-(3,4-dimethyI-benzoyI)-1-(5-methyl-isoxazol-3-ylmethyl)-1H-quinolin-4-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		26 mg (0.65 mmol) of sodium hydride (60%) was suspended in 3 mL of anhydrous dimethylformamide and to it was added 138.7 mg (0.50 mmol) of 3-(3,4-dimethyl-benzoyl)- 2,3-dihydro-l//-quinolin-4-one 3a and the resultant mixture was stirred at rt for 30 min. Then 77.4 mg (0.65 mmol) of 3-chloromethyl-l,2,4-oxadiazole was added to the reaction solution and the mixture was stirred at 80 0C for 1 h. The reaction solution was quenched by the addition of 10 mL of water. The crude product precipitated out of solution and was isolated by filtration. Purification of the crude product by flash chromatography provided 55 mg of 4cc as a colorless solid: LC-MSD, m/z for C23H20^O3, [M+H]+ = 373.4, [M+2H]+ = 374.4; Reverse phase HPLC (gradient acetonitrile 0.1% TFA 20-95% in 4 min) retention time = 2.639 min; 1H NMR (400 MHz, CDC13/HC1): delta 2.30 (d, 6 H), 2.36 (s, 3 H), 5.38 (s, 2 H), 5.90 (s, 1 H), 7.15 (d, 1 H), 7.42 (t, 1 H), 7.50-7.68 (m, 4 H), 8.27 (s, 1 H), 8.44 (d, 1 H).

Reference： [1]Patent: WO2007/59108,2007,A2 .Location in patent: Page/Page column 69

17
[ 1034835-84-1 ]
[ 51791-12-9 ]
[ 1034355-45-7 ]

Yield	Reaction Conditions	Operation in experiment
12%		Example 71 5-chloro-N-[(2Z)-5,5-dimethyl-3-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazolidin-2-ylidene]-2-methoxybenzamide To a solution of Example 1A (100 mg, 0.34 mmol) in dry THF/DMF (2:1) (15 mL) was added potassium t-butoxide (56.3 mg, 0.5 mmol). The mixture was stirred at room temperature for 10 minutes followed by the portion-wise addition of <strong>[51791-12-9]3-(chloromethyl)-1,2,4-oxadiazole</strong> (43.6 mg, 0.37 mmol) and tetrabutylammonium iodide (49.4 mg, 0.14 mmol). The mixture was heated to 95 C. for 12 hours after which the mixture was poured into water, and extracted with ethyl acetate (2). The combined organic layers were dried over MgSO4, filtered and purified by HPLC on a Waters Symmetry C8 column (40 mm100 mm, 7 mum particle size) using a gradient of 10% to 100% acetonitrile:ammonium acetate (10 mM) over 15 minutes at a flow rate of 70 mL/minute to provide the 14.6 mg (12%) of title product. 1H NMR (500 MHz, CDCl3) delta ppm 1.55 (s, 6H) 3.55 (s, 2H) 3.87 (s, 3H) 5.11 (s, 2H) 6.87 (d, J=8.85 Hz, 1H) 7.33 (dd, J=8.85, 2.75 Hz, 1H) 7.98 (d, J=2.75 Hz, 1H) 8.74 (s, 1H); MS (DCI/NH3) m/z 381 (M+1)+.

Reference： [1]Patent: US2008/153883,2008,A1 .Location in patent: Page/Page column 33

18
[ 51791-12-9 ]
[ 1025771-46-3 ]

Reference： [1]Patent: US2008/221101,2008,A1 .Location in patent: Page/Page column 38-39

19
7-chloro-3-({5-[piperazin-1-yl]methyl}-[1,2,4]-oxadiazol-3-yl)-1-(1,1-dioxo-hexahydrothiopyran-4-yl)methyl-1H-indole [ No CAS ]
[ 51791-12-9 ]
[ 1049863-47-9 ]

Yield	Reaction Conditions	Operation in experiment
		To a solution of 7-chloro-3-({5-[piperazin-1-yl]methyl}-[1,2,4]-oxadiazol-3-yl)-1-(1,1-dioxo-hexahydrothiopyran-4-yl)methyl-1H-indole (50 mg, 0.11 mmol) in dichloromethane (2 ml) and N,N-diisopropylethylamine (38 mul, 0.22 mmol) was added <strong>[51791-12-9]3-(chloromethyl)-[1,2,4]oxadiazole</strong> (19 mg, 0.16 mmol). The reaction was stirred at room temperature for 18 h. The reaction was filtered through a 2 g Strata SCX giga tube, washing with dichloromethane, methanol and then eluding with 2 M ammonia in methanol. The methanolic ammonia solution was evaporated under reduced pressure and the residue purified by flash column chromatography, eluding with 0% to 8% ethanol in dichloromethane to afford the title compound (49 mg, 0.09 mmol). EsIMS: m/z 546.3 [M+H]+.

Reference： [1]Patent: US2008/207598,2008,A1 .Location in patent: Page/Page column 12

20
[ 1067648-81-0 ]
[ 51791-12-9 ]
[ 1067649-43-7 ]
[ 1067649-47-1 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2009,vol. 19,p. 2591 - 2594

21
[ 1211758-21-2 ]
[ 51791-12-9 ]
[ 1211758-22-3 ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 60℃; for 18h;	Example 48; 4-(2-(1-((1,2,4-Oxadiazol-3-yl)methyl)piperidin-4-yloxy)-4-fluorophenylamino)-5- methylthieno[2,3-c/]pyrimidine-6-carboxamide; To a suspension of methyl 4-(4-fluoro-2-(piperidin-4-yloxy)phenylamino)-5- methylthieno[2,3-c/]pyhmidine-6-carboxamide (0.06 g, 0.15mmol) in DMF (2.0 mL) was added Hnigs base (0.06 ml_, 0.35 mmol) and 3-(chloromethyl)-1 ,2,4-oxadiazole (0.035 g , 0.3 mmol) and the mixture was warmed to 60 0C for 18 hours. After cooling to ambient temperature water (2 ml_) was added and the mixture stirred for 0.5 hours. The precipitated solid was collected by filtration and triturated from boiling MeCN. The solid was collected by filtration and dried under vacuum to give beige solid (0.046 g, 63 %).1H NMR (400 MHz; d6-DMSO; 25 C): delta 9.58 (s, 1 H), 8.55 (s, 1 H), 8.48 (t, 1 H), 8.39 (s, 1 H), 7.40 (bs, 2H), 7.18 (d, 1 H), 6.86 (t, 1 H), 4.58-4.53 (m, 1 H), 3.75 (s, 2H), 2.98 (s, 3H), 2.87-2.80 (m, 2H), 2.42 (t, 2H), 2.12-2.05 (m, 2H), 1.75-1.69 (m, 2H). MS (ESI+): 484 (M+H). HPLC (10cm_esci_bicarb): Rt 2.87 min (HPLC purity 95 %).

Reference： [1]Patent: WO2010/23181,2010,A1 .Location in patent: Page/Page column 97-98

22
[ 1253188-21-4 ]
[ 51791-12-9 ]
[ 1253186-83-2 ]

Yield	Reaction Conditions	Operation in experiment
		Example 61 : N- 1 -({2-chloro-5-f(1 ,2,4-oxadiazol-3-ylmethyl)oxy1phenyl)methyl)- 1H-pyrazol-3-yll-2,6-difluorobenzamide; To a solution of /V-{1-[(2-chloro-5-hydroxyphenyl)methyl]-1 H-pyrazol-3-yl}-2,6- difluorobenzamide (for a preparation see Intermediate 13)(36 mg, 0.1 mmol) in dimethylsulphoxide (0.18 ml) was added a solution of potassium f-butoxide (1 1 mg, 0.1 mmol) in dimethylsulphoxide (0.1 ml). The reaction mixture was stirred for 30 min at ambient temperature before addition of 3-(chloromethyl)-1 ,2,4-oxadiazole (14 mg, 0.12 mmol, Acros) in dimethylsulphoxide (0.12 ml). The reaction mixture was stirred at 50 0C for 24 h. Lambda/,Lambda/-diisopropylethylamine (40 mul, 0.23 mmol) was added and reaction mixture reheated to 60 0C for a further 24 h.Additional 3-(chloromethyl)-1 ,2,4-oxadiazole was added (0.08 mmol, 80 uL from a 1 mmol stock solution in DMSO) and heating continued at 60 0C for 18 h. Additional dimethylsulphoxide added (200 mul) and the reaction was purified by MDAP (Method D) on a Sunfire C18 column using Acetonitrile-Water with a TFA modifier. Solvent was evaporated in vacuo using a Genevac to give the title compound (3.4 mg); LCMS: (System 4) MH+ = 446, tRET = 2.75 min.

Reference： [1]Patent: WO2010/122089,2010,A1 .Location in patent: Page/Page column 109-110

23
[ 1402428-39-0 ]
[ 51791-12-9 ]
[ 1426825-54-8 ]
[ 1402428-42-5 ]

Yield	Reaction Conditions	Operation in experiment
		Scheme 3 10 11 Step l A mixture of 0.26 g (0.516 mmol) of compound 6, 0.01 g (0.258 mmol) of sodium borohydride, and 0.142 g (1.03 mmol) of potassium carbonate in 5.2 mL of methanol was stirred at room temperature for 20 min. To the mixture was added 0.122 g (1.03 mmol) of 2- chloromethyloxadiazole and the reaction was stirred for an additional 30 min. The reaction was quenched with 10 mL of saturated aqueous ammonium chloride and extracted with three 10 mL of methylene chloride. The combined extracts were dried over anhydrous magnesium sulfate, filtered, and concentrated under reduced pressure to give 0.309 g of crude sulfide products 9 and 10, which were used directly without further purification: 9: MS Calcd. for C23H21ClF2N2Na05S2 (MNa)+, m/z = 565.0; found 565.0. Retention time: 3.24 min. 10 : 1H NMR (CD3OD 400 MHz) delta 7.62 (d, J = 8.8 H, 2 H), 7.50 (d, J = 8.8 Hz, 2 H), 7.08 (m, 1H), 6.46 (m, 1 H), 5.15 (dd, J = 12.4, 2.4 Hz, 1 H), 4.41 (d, J = 12.4 Hz, 1 H), 3.87 (m, 1 H), 3.36 (m, 4 H), 3.29 (s, 2 H), 3.15 (m, 1 H), 2.95 (m, 1 H), 2.78 (m, 1 H), 2.55 (m, 2 H), 2.30 (m, 1 H), 2.18 (m, 1 H), 1.95 (m, 1 H). MS: Calcd. for C22H21C1F2N04S2 (MH*), 500.1; found 500.3. Retention time: 5.87/9.0 min.

Reference： [1]Patent: WO2013/36464,2013,A1 .Location in patent: Page/Page column 20; 21

24
[ 773837-37-9 ]
[ 51791-12-9 ]
2-(1,2,4-oxadiazol-3-yl)acetonitrile [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In dimethyl sulfoxide; at 20℃; for 4.5h;Inert atmosphere;	3-(Chloromethyl)- 1,2,4-0 xadiazole (1.46 g) was dissolved in DMSO (40 mL) at RT under argon, treated with sodium cyanide (755 mg ) and the reaction mixture was stirred at RT for 4.5 h. The reaction mixture was then partitioned between H20 and EtOAc, the organic layer was extracted with EtOAc, the combined organic layers were dried over Na2S04 and then evaporated in vacuo to give the desired compound as a yellow liquid (0.949 g), which was used without further purification in the next reaction step. MS (EI): m/z = 109 [M]+.

Reference： [1]Patent: WO2013/189841,2013,A1 .Location in patent: Page/Page column 86

25
[ 57260-71-6 ]
[ 51791-12-9 ]
[ 1402709-97-0 ]

Yield	Reaction Conditions	Operation in experiment
67%	With triethylamine; In dichloromethane; at 50℃; for 22h;	[00124] To a solution of Boc-piperazine (571 mg, 3.07 mmol) and 3-(chloromethyl)- 1 ,2,4-oxadiazole (400 mg, 3.37 mmol) in CH2CI2 (30 mL) was added triethylamine (1.70 mL, 12.3 mmol). The reaction was stirred for 22 h at 50 C before concentrated in vacuo to give a crude oily white solid. Purification was accomplished by flash chromatography on silica gel (4 x 12) eluting with MeOH/CH2CI2 (5%) to yield the title compound (555 mg, 67%) as a white solid. 1H-NMR (500 MHz, CDCI3) 1 .43 (s, 9H, C(CH3)3), 2.52 (app t, J = 4.9 Hz, 4H, CHz), 3.45 (app t, J = 4.9 Hz, 4H, CH2), 3.78 (s, 2H, CH2C-), 8.71 (s, 1 H, CHar); LC - MS (ESI, m/z): Rt = 1.67 min - 213 (M - 'Bu)+, 169 (M - Boc)+.

Reference： [1]Patent: WO2013/190319,2013,A1 .Location in patent: Paragraph 00124

26
[ 1609285-01-9 ]
[ 51791-12-9 ]
[ 1609284-74-3 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydride; In tetrahydrofuran; mineral oil; for 24h;Inert atmosphere;	To a mixture of (S)-4-(2-fluorophenyl)-5 ,5 -bis(4-fluorophenyl)oxazo lidin-2-one (0.035 g,0.09 mmol) (Example lOB) and 3-(chloromethyl)-l,2,4-oxadiazole (0.015g, 0.12 mmol)in THF under argon was added sodium hydride (0.008g, 60% dispersion in mineral oil,0.19 nn-no 1) and the reaction stirred for 24h. After which time the mixture was neutralizedwith Amberlite 1R120 resin, filtered and concentrated. Purification by recrystallization from 20% EtOAc/n-Heptane afforded the titled product as white crystals. MS: (MH)408.1.

Reference： [1]Patent: WO2014/67861,2014,A1 .Location in patent: Page/Page column 34

27
[ 768-94-5 ]
[ 51791-12-9 ]
[ 1421958-87-3 ]

Reference： [1]Journal of the American Chemical Society,2014,vol. 136,p. 17987 - 17995

28
[ 1620981-38-5 ]
[ 51791-12-9 ]
2-((8-chloro-1,7-naphthyridin-3-yl)oxy)acetonitrile [ No CAS ]
3-(((8-chloro-1,7-naphthyridin-3-yl)oxy)methyl)-1,2,4-oxadiazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
53%; 20%	With tetra-(n-butyl)ammonium iodide; potassium carbonate; In N,N-dimethyl-formamide; at 70℃; for 0.75h;	To a stirring solution of 3-(chloromethyl)-1 ,2,4-oxadiazole (361 mg, 3.05 mmol) in DMF (13.8 mL) was added 8-chloro-1 ,7-naphthyridin-3-ol (400A) (500 mg, 2.77 mmol), tetrabutylammonium iodide (102 mg, 0.27 mmol) and potassium carbonate (765 mg, 5.54 mmol). The suspension was heated at 70 C for 45 min and then cooled to RT. The mixture was diluted with EtOAc (75 mL) and water (150 mL). The layers were separated and the aqueous layer was extracted with EtOAc (75 mL). The combined organic extracts were washed with brine (50 mL), dried over Na2SO4, filtered and concentrated in vacuo. The residue was purified by silica gel chromatography eluting with a gradient of 20-80% EtOAc/heptane to give twp products: the 1 st eluent, 2-((8-chloro- 1 ,7-naphthyridin-3-yl)oxy)acetonitrile (409) as a white solid (325 mg, 53%). LC/MS (ESI+) m/z = 220.1 (M+H)+. 1H NMR (400 MHz, chloroform-d) delta 8.89 (d, J=2.93 Hz, 1 H), 8.40 (d, J=5.48 Hz, 1 H), 7.61 (d, J=5.48 Hz, 1 H), 7.52 (d, J=2.93 Hz, 1 H), 5.00 (s, 2H). The 2nd eluent, 3-(((8-chloro-1 ,7-naphthyridin-3-yl)oxy)methyl)-1 ,2,4-oxadiazole (410) as a white solid (149 mg, 20%). LC/MS (ESI+) m/z = 263.0 (M+H)+. 1H NMR (400 MHz, chloroform-d) delta 8.92 (d, J=2.93 Hz, 1 H), 8.84 (s, 1 H), 8.34 (d, J=5.67 Hz, 1 H), 7.53-7.59 (m, 2H), 5.47 (s, 2H).

Reference： [1]Patent: WO2016/22724,2016,A1 .Location in patent: Page/Page column 271; 272

29
ethyl 4-(4-chloro-2-fluorophenyl)-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate [ No CAS ]
[ 51791-12-9 ]
C₂₀H₁₈ClFN₄O₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20℃; for 18h;Inert atmosphere;	Ethyl 4- (4-chloro-2-fluorophenyl) -5, 6, 7, 8-tetrahydro-1, 7-naphthyridine-2-carboxylate (40 mg, 0.119 mmol) was placed under nitrogen in anhydrous DMF (0.5 ml) . Hunig?s Base was added (0.04 ml, 31 mg, 0.239 mmol) , followed by 3- (chloromethyl) -1, 2, 4-oxadiazole (18 mg, 0.149 mmol) in anhydrous DMF (0.5 ml) . The reaction mixture was allowed to stir at room temperature. After 18 h the mixture was concentrated under reduced pressure. The resultant residue was dissolved in 7 N NH3in methanol (2.0ml) . The mixture was stirred 17 h at room temperature, then for 1 hour at 50 . The mixture was allowed to cool, then concentrated under reduced pressure. The resultant residue was dissolved in DMSO (1.5 ml) and purified by reverse phase preparative HPLC eluting with 8 to 40 MeCN in water (both with 0.1 TFA) over 10 min at 25 ml/min to provide the title compound. LC-MS: calculated for C18H15ClFN5O2387.09 observed m/e: 388.09 (M+H)+

Reference： [1]Patent: WO2016/29454,2016,A1 .Location in patent: Page/Page column 109

30
[ 122-52-1 ]
[ 51791-12-9 ]
diethyl (1,2,4-oxadiazol-3-ylmethyl)phosphonate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
89%	at 160℃; for 2h;	A stirred solution of chloromethyl oxadiazole S56 (0.230 g, 1.94 mmol, 1.0 equiv) in triethyl phosphite (678 mg, 4.08 mmol, 2.1 equiv) was heated to 160 C. After 2 h, the triethyl phosphite was removed under a steady flow of nitrogen gas, and the reaction mixture was allowed to cool to 25 C. The obtained residue was purified by flash column chromatography (silica gel, 40- > 90% ethyl acetate in hexanes) to afford pure phosphonate 64 (375 mg, 1.70 mmol, 89% yield) as a colorless oil. 64: =0.25 (silica gel, ethyl acetate); FT-IR (neat) vmax 3476, 3075, 2985, 2934, 1646, 1551, 1479, 1445, 1395, 1370, 1343, 1255, 1163, 1139, 1107, 1051, 1021, 972, 959, 888, 831, 807, 762, 727 cm"1; NMR (600 MHz, CDCI3) 5 = 8.70 (s, 1 H), 4.21-4.15 (m, 4 H), 3.41 (d, 7= 21.6 Hz, 2 H), 1.34 (t, 7=7.2Hz, 6 H) ppm; 13C NMR (151 MHz, CDCI3) delta= 165.2, 163.3 (d, 7=9.2 Hz), 63.0 (d, 7=6.6 Hz), 24.9 (d, 7= 140.3 Hz), 16.5 (d, 7=6.0 Hz) ppm; HRMS (ESI) calcd for C7Hi3N204PNa+ [M+Na]+ 243.0505, found 243.0510.

Reference： [1]Journal of the American Chemical Society,2017,vol. 139,p. 7318 - 7334
[2]Patent: WO2018/191394,2018,A1 .Location in patent: Page/Page column 173-174

31
2-ethyl-6-piperazin-1-yl-imidazo[1,2-a]pyridin-3-yl-[4-(4-fluoro-phenyl)-thiazol-2-yl]-methyl-amine [ No CAS ]
[ 51791-12-9 ]
N-(6-(4-((1,2,4-oxadiazol-3-yl)methyl)piperazin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2017,vol. 60,p. 7371 - 7392

Same Skeleton Products

Related Products

Historical Records

Related Functional Groups of
[ 51791-12-9 ]

Chlorides

[ 1192-80-9 ]

3-(Chloromethyl)-5-methyl-1,2,4-oxadiazole

Similarity: 0.83

Related Parent Nucleus of
[ 51791-12-9 ]

Oxadiazoles

[ 1192-80-9 ]

3-(Chloromethyl)-5-methyl-1,2,4-oxadiazole

Similarity: 0.83

[ 1184986-84-2 ]

(5-Methyl-1,2,4-oxadiazol-3-yl)methanamine hydrochloride

Similarity: 0.64

[ 1338494-62-4 ]

3-(Trifluoromethyl)-1,2,4-oxadiazol-5-ol

Similarity: 0.63

[ 40019-21-4 ]

Ethyl 3-methyl-1,2,4-oxadiazole-5-carboxylate

Similarity: 0.50

[ 1456-22-0 ]

3-Phenyl-1,2,4-oxadiazol-5-ol

Similarity: 0.50

Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 51791-12-9 ] {[proInfo.proName]}

Quality Control of [ 51791-12-9 ]

Related Doc. of [ 51791-12-9 ]

Product Details of [ 51791-12-9 ]

Calculated chemistry of [ 51791-12-9 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 51791-12-9 ]

Application In Synthesis of [ 51791-12-9 ]

[ 51791-12-9 ] Synthesis Path-Upstream 1~1

[ 51791-12-9 ] Synthesis Path-Downstream 1~31

Related Functional Groups of [ 51791-12-9 ]

Chlorides

Related Parent Nucleus of [ 51791-12-9 ]

Oxadiazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 51791-12-9 ]

Related Parent Nucleus of
[ 51791-12-9 ]