[ CAS No. 354795-62-3 ] {[proInfo.proName]}

Name: 354795-62-3|3-Methylisoxazol-4-amine|95%
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Quality Control of [ 354795-62-3 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 354795-62-3 ]

Product Details of [ 354795-62-3 ]

CAS No. :	354795-62-3	MDL No. :	MFCD11878420
Formula :	C₄H₆N₂O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	BNOWDJRGXLVJHD-UHFFFAOYSA-N
M.W :	98.10	Pubchem ID :	13804284
Synonyms :

Calculated chemistry of [ 354795-62-3 ]

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.25
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	25.87
TPSA :	52.05 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) :	-6.83 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.12
Log Po/w (XLOGP3) :	0.09
Log Po/w (WLOGP) :	0.57
Log Po/w (MLOGP) :	-0.68
Log Po/w (SILICOS-IT) :	0.66
Consensus Log Po/w :	0.35

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.03
Solubility :	9.08 mg/ml ; 0.0926 mol/l
Class :	Very soluble
Log S (Ali) :	-0.74
Solubility :	17.9 mg/ml ; 0.183 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.18
Solubility :	6.42 mg/ml ; 0.0655 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.16

Safety of [ 354795-62-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280	UN#:	N/A
Hazard Statements:	H302-H312-H332	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 354795-62-3 ]

* 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 [ 354795-62-3 ]
Downstream synthetic route of [ 354795-62-3 ]

[ 354795-62-3 ] Synthesis Path-Upstream 1~2

1
[ 1285517-11-4 ]
[ 354795-62-3 ]

Yield	Reaction Conditions	Operation in experiment
93%	With trifluoroacetic acid In dichloromethane at 20℃; for 1 h;	[0268j A mixture of tert-butyl (3-methylisoxazol-4-yl)carbamate (150 mg, 0.75 mmol) in TFA/DCM (10 mL, 1:1) was stirred at rt for 1 h. After concentrated, the residue was dissolved in DCM (20 mL) and solid K2C03 (1 g) was added. The solid was filtered off and the filtrate was concentrated to give crude title product (96 mg, yield: 93percent), which was used in nest step without further purification.

Reference： [1] Patent: WO2015/89337, 2015, A1, . Location in patent: Paragraph 0268
[2] Patent: WO2011/38572, 2011, A1, . Location in patent: Page/Page column 75

2
[ 1122-05-0 ]
[ 354795-62-3 ]

Reference： [1] Journal of Organic Chemistry, 1987, vol. 52, # 13, p. 2714 - 2726
[2] Gazzetta Chimica Italiana, 1946, vol. 76, p. 123,129
[3] Gazzetta Chimica Italiana, 1941, vol. 71, p. 327,336

[ 354795-62-3 ] Synthesis Path-Downstream 1~14

1
[ 354795-62-3 ]
[ 121-60-8 ]
sulfanilic acid-(3-methyl-isoxazol-4-ylamide) [ No CAS ]

Reference： [1]Gazzetta Chimica Italiana,1941,vol. 71,p. 565,572
Gazzetta Chimica Italiana,1946,vol. 76,p. 131,140

2
[ 1122-05-0 ]
[ 354795-62-3 ]

Reference： [1]Journal of Organic Chemistry,1987,vol. 52,p. 2714 - 2726
[2]Gazzetta Chimica Italiana,1946,vol. 76,p. 123,129
[3]Gazzetta Chimica Italiana,1941,vol. 71,p. 327,336

3
4-benzoylamino-3-methyl-isoxazole-5-carboxylic acid [ No CAS ]
[ 354795-62-3 ]

Reference： [1]Gazzetta Chimica Italiana,1942,vol. 72,p. 399,410

4
[ 354795-62-3 ]
(7R, 9aS)-trans-methanesulfonic acid 5-(2-benzo[d]isoxazol-3-yl-octahydro-pyrido[1,2-a]pyrazin-7-ylmethoxy)-pyridin-2-ylmethyl ester [ No CAS ]
(7R, 9aS)-trans-[6-(2-benzo[d]isoxazol-3-yl-octahydro-pyrido[1,2-a]pyrazin-7-ylmethoxy)-pyridin-3-ylmethyl]-(3-methyl-isoxazol-4-yl)-amine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In acetonitrile; at 90℃; for 12.0h;	The general procedure is as follows : A reaction mixture consisting of (7R, 9aS)- trans-Methanesulfonic acid 5-(2-BENZO [DRISOXAZOL-3-YL-OCTAHYDRO-PYRIDO [1, 2-A] PYRAZIN-7- YLMETHOXY)-PYRIDIN-2-YLMETHYL ester from the previous step (0.03 MMOL, 14.2 mg) and an appropriate amine (0. 12 MMOL) in acetonitrile (1 ml) was stirred in A 2-dram vial at 90oC for 12 hours. After cooling, the solvent is removed and the residue dissolved in 1.8 mL of DMSO and FILITERED through 0. 45 MM Nylon ACRODISC into 12X32 mm HPLC vials for purification.

Reference： [1]Patent: WO2004/81007,2004,A1 .Location in patent: Page 36; 37

5
[ 354795-62-3 ]
[ 108-77-0 ]
[ 288606-09-7 ]
[ 354795-10-1 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In n-heptane; dichloromethane;	EXAMPLE 25 4-Difluoromethoxy-2-ethylbenzooxazole-7-carboxylic acid (3-methylisoxazol-4-yl)-amide Cyanuric chloride (24 mg) was added to a suspension of 4-difluoromethoxy-2-ethylbenzooxazole-7-carboxylic acid (0.1 g) in dichloromethane (20 ml) at room temperature under an atmosphere of nitrogen. Triethylamine (0.07 ml) was added dropwise, followed by <strong>[354795-62-3]3-methylisoxazol-4-ylamine</strong> (46 mg) in dichloromethane (5 ml). The reaction was left to stir for 2 hours before evaporation of the solvent in vacuo. Purification by column chromatography on silica eluding with 50% ethyl acetate in heptane afforded, after trituration with diethyl ether-hexane, the title compound as a white solid (5 mg). TLC Rf 0.29 (50% ethyl acetate in heptane). M.p. 157-158 C.

Reference： [1]Patent: US6403791,2002,B1

6
[ 354795-62-3 ]
[ 1237517-77-9 ]
[ 1285514-41-1 ]

Yield	Reaction Conditions	Operation in experiment
		A mixture of 2-[(phenylmethyl)oxy]-5-(4-pyridinyl)benzoic acid (may be prepared as described in Description 79; 0.12 g, 0.36 mmol), EDC (0.14 g, 0.72 mmol) and HOBT (0.11 g, 0.72 mmol) in Nu,Nu-dimethylformamide (2 ml) was stirred in air at room temperature for 1 h, then <strong>[354795-62-3]3-methyl-4-isoxazolamine</strong> (may be prepared as described in Description 91; 100 mg, 1.02 mmol) was added in one charge. The reaction mixture was stirred at 25 C overnight. The reaction mixture was diluted with water (25 ml). The solid was filtered, washed with water (30 ml) and methanol (5 ml x 2), and dried in vacuo to yield the title compound as a grey solid. 72 mg.1HNMR (400 MHz, DMSO- /6): 9.97 (s, 1 H), 9.19 (s, 1 H), 8.63 (d, 2H, J=6.0), 8.18 (d, 1 H, J=2.4), 8.04 (dd, H, J=2.4, J=8.8), 7.75 (d, 2H, J=6.0), 7.56 (d, 2H, J=6.8),7.49-7.38 (m, 4H), 5.34 (s, 2H), 1.95 (s, 3H).MS (electrospray): m/z [M+H]+ = 386.00

Reference： [1]Patent: WO2011/38572,2011,A1 .Location in patent: Page/Page column 127

7
[ 354795-62-3 ]
[ 1285517-46-5 ]
[ 1285515-67-4 ]

Yield	Reaction Conditions	Operation in experiment
	With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20℃;	3- ethyl-4-isoxazolamine (38.0 mg, 0.28 mmol), 1-hydroxy-7-azabenzotriazole (30.7 mg, 0.23 mmol), EDC (43.3 mg, 0.23 mmol) and diisopropylethylamine (0.10 ml, 0.56 mmol) were added to a solution of 2-[(4-fluorophenyl)methyl]oxy}-5-{1-[2-(4- morpholinyl)ethyl]-1 H-pyrazol-4-yl}benzoic acid (may be prepared as described in Description 114; 80 mg, 0.19 mmol) in N,N-dimethylformamide (2 ml) and the reaction mixture was stirred at room temperature overnight. The DMF was removed on a buchi. The residue was taken up into ethyl acetate (50 ml) and washed with water (1 x 25 ml). The ethyl acetate layer was evaporated on a buchi under reduced pressure and the residue was purified using the DAP. The solid obtained after concentrating the appropriate sample was taken up into ethyl acetate (50 ml) and washed with saturated bicarbonate (10 ml). The organic phase was dried (MgS04) and evaporated to yield the title compound as a white solid. 15 mg.MS (electrospray): m/z [M+H]+ = 506H N R (400 MHz, CHLOROFORM-d) delta ppm 1.57 (3 H, s) 2.47 - 2.60 (4 H, m) 2.87 (2 H, t, J=6.65 Hz) 3.66 - 3.79 (4 H, m) 4.29 (2 H, t, J=6.65 Hz) 5.20 (2 H, s) 7.13 - 7.23 (3 H, m) 7.54 (2 H, dd, J=8.53, 5.27 Hz) 7.66 (1 H, dd, J=8.53, 2.26 Hz) 7.79 (2 H, d, J=13.80 Hz) 8.42 (1 H, d, J=2.26 Hz) 9.11 (1 H, s)

Reference： [1]Patent: WO2011/38572,2011,A1 .Location in patent: Page/Page column 182; 183

8
[ 354795-62-3 ]
[ 1285517-55-6 ]
[ 1285515-74-3 ]

Yield	Reaction Conditions	Operation in experiment
	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20℃;	To a solution of 2-[(4-fluorophenyl)methyl]oxy}-5-(trifluoromethyl)benzoic acid (may be prepared as described in Description 119; 100 mg, 0.32 mmol in N,N-dimethylformamide (4 ml) was added EDC (122 mg, 0.64 mmol), HOBT (63.4 mg, 0.41 mmol), 3-methyl-4- isoxazolamine (86 mg, 0.64 mmol), DIPEA (0.22 ml, 1.27 mmol) and the mixture was stirred at room temperature overnight. The mixture was then heated to 70C overnight (NOTE: it would be better to prepare the acid chloride and react this with the amine). The mixture was diluted with water (25 ml) and extracted with ethyl acetate (3 x 25 ml). The organics were combined, evaporated under reduced pressure on a buchi and the residue was purifed using an MDAP to yield the title compound. 33 mg.MS (electrospray): m/z [M+H]+ = 3951H NMR (400 MHz, METHANOL-d4) 6 ppm 1.72 (3 H, s) 5.34 (2 H, s) 7.19 (2 H, s) 7.48 - 7.56 (1 H, m) 7.57 - 7.67 (2 H, m) 7.83 - 7.91 (1 H, m) 8.24 - 8.34 (1 H, m) 9.05 (1 H, s)

Reference： [1]Patent: WO2011/38572,2011,A1 .Location in patent: Page/Page column 186

9
[ 1285517-11-4 ]
[ 354795-62-3 ]

Yield	Reaction Conditions	Operation in experiment
93%	With trifluoroacetic acid; In dichloromethane; at 20℃; for 1.0h;	[0268j A mixture of tert-butyl (3-methylisoxazol-4-yl)carbamate (150 mg, 0.75 mmol) in TFA/DCM (10 mL, 1:1) was stirred at rt for 1 h. After concentrated, the residue was dissolved in DCM (20 mL) and solid K2C03 (1 g) was added. The solid was filtered off and the filtrate was concentrated to give crude title product (96 mg, yield: 93%), which was used in nest step without further purification.
		HCI gas in ethanol (10 ml, 13 mmol) was carefully added 1 ,1-dimethylethyl (3-methyl-4- isoxazolyl)carbamate (may be prepared as described in Description 90; 517 mg, 2.07 mmol) in an ice-water bath. After addition, the solution was stirred at room temperature for 2 hours. The reaction mixture was concentrated to obtain colourless gum, which was dissolved in water (10 ml), then aqueous ammonia solution (30%) was added to adjust the pH to 9. The solution was concentrated to yield crude title compound as a yellow solid. 560 mg.

Reference： [1]Patent: WO2015/89337,2015,A1 .Location in patent: Paragraph 0268
[2]Patent: WO2011/38572,2011,A1 .Location in patent: Page/Page column 75

10
[ 354795-62-3 ]
[ 1362821-12-2 ]
[ 1362818-74-3 ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; for 18.0h;	Example 435-Chloro-4-[(3,3-difluoro-1-pyrrolidinyl)carbonyl]- V-(3-methyl-4-isoxazolyl)-2- [(phenylmethyl)oxy]benzamide (E43)To a solution of 5-chloro-4-[(3,3-difluoro-1-pyrrolidinyl)carbonyl]-2- [(phenylmethyl)oxy]benzoic acid (may be prepared as described in Description 65; 90 mg, 0.23 mmol) in N,N-dimethylformamide (3 ml) was added diisopropylethylamine (0.08 ml, 0.46 mmol), HATU (156 mg, 0.41 mmol) and <strong>[354795-62-3]3-methyl-4-isoxazolamine</strong> (26.8 mg, 0.27 mmol). The solution was stirred for 18 hours. The solvent removed in vacuo and purified by MDAP to give the title compound as a white solid. 65 mg.MS (electrospray): m/z [M+H]+ 4761 H NMR (DMSO-d6): 1.94 (3 H, d, J=3.26 Hz), 2.40 - 2.60 (2 H, m), 3.40 (1 H, t, J=7.28 Hz), 3.54 - 3.68 (1 H, m), 3.75 (1 H, t, J=7.53 Hz), 3.93 (1 H, t, J=13.18 Hz), 5.28 (2 H, s), 7.32 - 7.45 (4 H, m), 7.51 (2 H, d, J=6.78 Hz), 7.81 (1 H, s), 9.16 (1 H, s), 9.97 (1 H, br. s.).

Reference： [1]Patent: WO2012/28629,2012,A1 .Location in patent: Page/Page column 76

11
[ 354795-62-3 ]
[ 1362819-73-5 ]
[ 1362818-03-8 ]

Yield	Reaction Conditions	Operation in experiment
	With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; for 18.0h;	Example 165-Bromo-2-[(4-fluorophenyl)methyl]oxy}- V-(3-methyl-4-isoxazolyl)-4-(4- morpholinylmethyl)benzamide (E16)To a solution of 5-bromo-2-[(4-fluorophenyl)methyl]oxy}-4-(4-morpholinylmethyl)benzoic acid (may be prepared as described in Description 20; 150 mg, 0.35 mmol) in N,N- dimethylformamide (4 ml) was added <strong>[354795-62-3]3-methyl-4-isoxazolamine</strong> (41.6 mg, 0.42 mmol), diisopropylethylamine (0.12 ml, 0.71 mmol), 1 -hydroxy- 7-azabenzotriazole (57.7 mg, 0.42 mmol) and EDC (102 mg, 0.53 mmol). The mixture was stirred for 18 hours, then the solvent removed in vacuo to give a residue. The residue was purified by column chromatography (10% 7M NH3 in methanol/dichloromethane) to yield the title compound as a solid. 178 mg. MS (electrospray): m/z, [M+H]+ = 504/506

Reference： [1]Patent: WO2012/28629,2012,A1 .Location in patent: Page/Page column 57-58

12
[ 354795-62-3 ]
[ 1362819-79-1 ]
[ 1362818-13-0 ]

Yield	Reaction Conditions	Operation in experiment
	With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; for 18.0h;	Example 215-Bromo-2-[(2,4-difluorophenyl)methyl]oxy}-N-(3-methyl-4-isoxazolyl)-4-(4- morpholinylmethyl)benzamide (E21) To a solution of 5-bromo-2-[(2,4-difluorophenyl)methyl]oxy}-4-(4-morpholinylmethyl)benzoic acid (may be prepared as described in Description 22; 150 mg, 0.34 mmol) in N,N- dimethylformamide (4 ml) was added diisopropylethylamine (0.12 ml, 0.68 mmol), 1-hydroxy- 7-azabenzotriazole (55.4 mg, 0.41 mmol), <strong>[354795-62-3]3-methyl-4-isoxazolamine</strong> hydrochloride (39.9 mg, 0.41 mmol) and EDC (98 mg, 0.51 mmol). The reaction was stirred for 18 hours. The solvent was removed in vacuo and the residue was purified by column chromatography (Si02; ethyl acetate) to yield the title compound as a solid. 162 mg.LCMS: m/z 523 M+H.

Reference： [1]Patent: WO2012/28629,2012,A1 .Location in patent: Page/Page column 60-61

13
[ 354795-62-3 ]
[ 1362819-91-7 ]
[ 1362818-22-1 ]

Yield	Reaction Conditions	Operation in experiment
	With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; for 18.0h;	Example 25H-pyrazol-4-yl)-4-(4-morpholinylcarbonyl)-2-To a solution of 5-(1 -methyl- 1 H-pyrazol-4-yl)-4-(4-morpholinylcarbonyl)-2- [(phenylmethyl)oxy]benzoic acid (may be prepared as described in Description 26; 44 mg, 0.10 mmol) in N,N-dimethylformamide (5 ml) was added diisopropylethylamine (0.04 ml, 0.21 mmol), <strong>[354795-62-3]3-methyl-4-isoxazolamine</strong> (20.48 mg, 0.21 mmol), 1-hydroxy-7-azabenzotriazole (21.32 mg, 0.16 mmol) and EDC (34.0 mg, 0.18 mmol). The reaction was stirred for 18 hours and then the solvent was removed in vacuo. The residue was purified by MDAP to yield the title compound as a white solid. 43 mg.MS (electrospray): m/z, [M+H]+ = 5021 H NMR (400 MHz, DMSO-d6); 1.92 (s, 3 H), 2.80 - 3.13 (m, 3 H), 3.35 - 3.72 (m, 5 H), 3.92 (s, 3 H), 5.13 - 5.41 (m, 2 H), 7.24 (s, 1 H), 7.33 - 7.45 (m, 3 H), 7.47 - 7.62 (m, 3 H), 7.85 (d, J=3.01 Hz, 2 H), 9.16 (s, 1 H), 9.90 (s, 1 H).

Reference： [1]Patent: WO2012/28629,2012,A1 .Location in patent: Page/Page column 63-64

14
[ 354795-62-3 ]
[ 351003-23-1 ]
3-cyano-4-fluoro-N-(3-methylisoxazol-4-yl)benzenesulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
67%	With pyridine; In dichloromethane; at 20℃; for 18.0h;	To a suspension of <strong>[354795-62-3]3-methylisoxazol-4-ylamine</strong> (140 mg, 1.04 mmol) in DCM (5 mL) and pyridine (0.252 uL, 3.12 mmol) was added 4-fluoro-3-cyanobenzene sulfonylchloride (275 mg, 1.25 mmol) and the reaction mixture stirred at room temperature for 18 hours. The reaction mixture was washed with water, the organic layer collected, dried over MgSO4 and concentrated in vacuo. The residue was re-dissolved in DCM, washed with 2N HCl (aq), the organic layer collected, dried over MgSO4 and concentrated in vacuo to afford the title compound as a yellow solid (196 mg, 67%), which was used without further purification The following Preparations were prepared according to the procedure described in Preparation 33 using the appropriate arylsulfonylchloride and aminoheterocycle as described below:

Reference： [1]Patent: US2014/315933,2014,A1 .Location in patent: Paragraph 0528; 0529

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Ghs Precautionary Statements

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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

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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. 354795-62-3 ] {[proInfo.proName]}

Quality Control of [ 354795-62-3 ]

Related Doc. of [ 354795-62-3 ]

Product Details of [ 354795-62-3 ]

Calculated chemistry of [ 354795-62-3 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

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Application In Synthesis of [ 354795-62-3 ]

[ 354795-62-3 ] Synthesis Path-Upstream 1~2

[ 354795-62-3 ] Synthesis Path-Downstream 1~14

Related Functional Groups of [ 354795-62-3 ]

Amines

Related Parent Nucleus of [ 354795-62-3 ]

Isoxazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

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Inquiry

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[ 354795-62-3 ]

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[ 354795-62-3 ]