[ CAS No. 63874-95-3 ] {[proInfo.proName]}

Name: 63874-95-3|1-Benzyl-1H-pyrazole-4-carbaldehyde|95%
Brand: Ambeed
SKU: A112454
Price: 9.0 USD
Availability: InStock
Rating: 95 (32 reviews)

,{[proInfo.pro_purity]}

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

DV 2D 3D

3d Animation Molecule Structure of 63874-95-3

Structure of 63874-95-3 * 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 [ 63874-95-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 63874-95-3 ]

SDS Specification

Alternatived Products of [ 63874-95-3 ]

Product Details of [ 63874-95-3 ]

CAS No. :	63874-95-3	MDL No. :	MFCD02179567
Formula :	C₁₁H₁₀N₂O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WOXHPHOZJMLUFE-UHFFFAOYSA-N
M.W :	186.21	Pubchem ID :	6484676
Synonyms :

Calculated chemistry of [ 63874-95-3 ]

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	11
Fraction Csp3 :	0.09
Num. rotatable bonds :	3
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	53.36
TPSA :	34.89 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.52 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.67
Log Po/w (XLOGP3) :	1.29
Log Po/w (WLOGP) :	1.74
Log Po/w (MLOGP) :	1.1
Log Po/w (SILICOS-IT) :	1.99
Consensus Log Po/w :	1.56

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.19
Solubility :	1.2 mg/ml ; 0.00645 mol/l
Class :	Soluble
Log S (Ali) :	-1.62
Solubility :	4.44 mg/ml ; 0.0238 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-3.28
Solubility :	0.0975 mg/ml ; 0.000524 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.58

Safety of [ 63874-95-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 63874-95-3 ]

* 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 [ 63874-95-3 ]
Downstream synthetic route of [ 63874-95-3 ]

[ 63874-95-3 ] Synthesis Path-Upstream 1~5

1
[ 63874-95-3 ]
[ 121358-86-9 ]

Yield	Reaction Conditions	Operation in experiment
91%	With ammonium hydroxide; sodium bromate; acetic acid In water at 90 - 100℃; for 1 h;	in room temperature, 1-Benzyl-1H-pyrazole-4carboxaldehyde (18.6 g, 0.1 mol), sodium bromate (7.5 g, 0.05 mol) and 200 g of acetic acid were mixed, and 50 g of ammonia water having a molecular weight concentration of 25percent of ammonia was added. 300 ml of water, heated to 90 ° C, the reaction is exothermic, maintain the reaction temperature of 100 ° C, reflux reaction for 1 hour to 1-benzyl-1H-pyrazole-4 formaldehyde complete reaction, cooled to room temperature, the reaction solution was poured into ice water After quenching and dilution, the mixture was neutralized until the reaction liquid was neutral, extracted with dichloromethane, dried, and concentrated, and then distilled under reduced pressure and recrystallized to give a product of 16.6 g, yield 91percent, purity 98percent or more.

Reference： [1] Patent: CN108707113, 2018, A, . Location in patent: Paragraph 0032
[2] Heterocycles, 1988, vol. 27, # 10, p. 2443 - 2458
[3] Heterocycles, 1988, vol. 27, # 10, p. 2443 - 2458

2
[ 70817-17-3 ]
[ 63874-95-3 ]

Yield	Reaction Conditions	Operation in experiment
46%	Stage #1: With Dess-Martin periodane In dichloromethane at 20℃; for 1.5 h; Stage #2: With water; sodium hydrogencarbonate; sodium thiosulfate In dichloromethane at 20℃; for 0.5 h;	(1-Benzyl-1H-pyrazol-4-yl)methanol (190 mg, 1.0 mmol) in DCM (8 mL) at rt was treated with Dess-Martin periodinane (670 mg, 1.58 mmol). After 1.5 h, the reaction was quenched with a mixture of saturated solution of sodium thiosulfate and 10percent NaHCO₃ (1:1) at rt, stirred for 30 min before extraction with DCM (3*30 mL). The combined extracts were washed with a saturated aqueous solution of NaHCO₃, brine, dried (Na₂SO₄), filtered and concentrated. Purification by flash chromatography (Isco CombiFlash) 0-40percent EtOAc/heptane provided 1-benzyl-1H-pyrazole-4-carbaldehyde (86 mg, 46percent). ¹H NMR (400 MHz, CDCl₃) δ ppm 5.35 (s, 2H), 7.27-7.30 (m, 2H), 7.36-7.43 (m, 3H), 7.88 (s, 1H), 8.01 (s, 1H), 9.85 (s, 1H); LCMS-MS (ESI+) 186.90 (M+H).

Reference： [1] Patent: US2008/4327, 2008, A1, . Location in patent: Page/Page column 76
[2] Patent: WO2005/42534, 2005, A2, . Location in patent: Page/Page column 42-43

3
[ 50877-42-4 ]
[ 68-12-2 ]
[ 63874-95-3 ]

Yield	Reaction Conditions	Operation in experiment
30%	Stage #1: With isopropylmagnesium chloride In tetrahydrofuran at 0℃; for 1 h; Inert atmosphere Stage #2: at 0 - 20℃; for 1 h; Inert atmosphere	b) 1 -Benzyl- 1 H -pyrazole-4 -carbaldehyde (A 148) 1-Benzyl-4-iodo-1 H-pyrazole A147 (859 mg, 3.02 mmol) in THF (5 mL) was cooled to 0 °C under nitrogen before a 2.0 M solution of isopropylmagnesium chloride in THF (1.66 mL, 3.33 mmol) was added. After 1 hour, DMF (0.5 mL) was added. The mixture was stirred for 30 minutes at 0 °C then a further 30 minutes at room temperature. The mixture was quenched with a saturated aqueous solution of ammonium chloride (10 mL), diluted with water (20 mL) and extracted with CHCI₃ (3 ^χ 25 mL). The pooled organics were washed with brine (50 mL), dried with sodium sulfate and concentrated in vacuo. The crude material was purified by column chromatography (12 g Si0₂ cartridge, 0-50percent EtOAc in hexanes) to give the title compound as a colourless oil (170 mg, 30percent). H NMR (400 MHz, CDCI₃) δ 9.83 (s, 1 H), 8.00 (s, 1 H), 7.88 (s, 1 H), 7.42-7.33 (m, 3H), 7.29-7.25 (m, 2H), 5.33 (s, 2H). LCMS-B: rt 3.10 min, m/z (positive ion) 187.1 [M+H]⁺.

Reference： [1] Chemical and Pharmaceutical Bulletin, 2012, vol. 60, # 12, p. 1550 - 1560
[2] Patent: WO2014/128465, 2014, A1, . Location in patent: Page/Page column 161

4
[ 10199-67-4 ]
[ 68-12-2 ]
[ 63874-95-3 ]

Reference： [1] Journal of Heterocyclic Chemistry, 1993, vol. 30, # 4, p. 957 - 960
[2] Tetrahedron, 1995, vol. 51, # 16, p. 4779 - 4800

5
[ 100-39-0 ]
[ 63874-95-3 ]

Reference： [1] Patent: WO2014/128465, 2014, A1,

[ 63874-95-3 ] Synthesis Path-Downstream 1~54

1
[ 10199-67-4 ]
[ 68-12-2 ]
[ 63874-95-3 ]

Reference： [1]Journal of Heterocyclic Chemistry,1993,vol. 30,p. 957 - 960
[2]Tetrahedron,1995,vol. 51,p. 4779 - 4800

2
[ 79-19-6 ]
[ 63874-95-3 ]
[ 132549-01-0 ]

Reference： [1]Monatshefte fur Chemie,1990,vol. 121,p. 837 - 846

3
[ 62-53-3 ]
[ 63874-95-3 ]
[ 132549-02-1 ]

Reference： [1]Monatshefte fur Chemie,1990,vol. 121,p. 837 - 846

4
[ 100-63-0 ]
[ 63874-95-3 ]
[ 132548-98-2 ]

Reference： [1]Monatshefte fur Chemie,1990,vol. 121,p. 837 - 846

5
[ 593-56-6 ]
[ 63874-95-3 ]
[ 132549-05-4 ]
[ 132549-06-5 ]

Reference： [1]Monatshefte fur Chemie,1990,vol. 121,p. 837 - 846

6
[ 563-41-7 ]
[ 63874-95-3 ]
[ 132549-00-9 ]

Reference： [1]Monatshefte fur Chemie,1990,vol. 121,p. 837 - 846

7
[ 63874-95-3 ]
[ 80-17-1 ]
[ 132548-99-3 ]

Reference： [1]Monatshefte fur Chemie,1990,vol. 121,p. 837 - 846

8
[ 63874-95-3 ]
[ 132549-03-2 ]
[ 132549-04-3 ]

Reference： [1]Monatshefte fur Chemie,1990,vol. 121,p. 837 - 846
[2]Monatshefte fur Chemie,1990,vol. 121,p. 837 - 846

9
[ 63874-95-3 ]
N,N'-Bis-[1-(1-benzyl-1H-pyrazol-4-yl)-meth-(E)-ylidene]-hydrazine [ No CAS ]

Reference： [1]Journal of Heterocyclic Chemistry,1993,vol. 30,p. 957 - 960

10
[ 105-56-6 ]
[ 63874-95-3 ]
(E)-ethyl 3-(1-benzyl-4-pyrazolyl)-2-cyanoacrylate [ No CAS ]

Reference： [1]Heterocycles,1988,vol. 27,p. 2443 - 2458

11
[ 867-13-0 ]
[ 63874-95-3 ]
(E)-ethyl 3-(1-benzyl-4-pyrazolyl)acrylate [ No CAS ]

Reference： [1]Heterocycles,1988,vol. 27,p. 2443 - 2458

12
[ 141-82-2 ]
[ 63874-95-3 ]
[ 121358-81-4 ]

Reference： [1]Heterocycles,1988,vol. 27,p. 2443 - 2458

13
[ 1080-32-6 ]
[ 63874-95-3 ]
(E)-1-benzyl-4-(2-phenylethenyl)pyrazole [ No CAS ]

Reference： [1]Heterocycles,1988,vol. 27,p. 2443 - 2458

14
[ 63874-95-3 ]
[ 109-77-3 ]
(1-benzyl-4-pyrazolylmethylene)malononitrile [ No CAS ]

Reference： [1]Heterocycles,1988,vol. 27,p. 2443 - 2458

15
[ 63874-95-3 ]
[ 105-53-3 ]
diethyl (1-benzyl-4-pyrazolylmethylene)malonate [ No CAS ]

Reference： [1]Heterocycles,1988,vol. 27,p. 2443 - 2458

16
[ 63874-95-3 ]
[ 121358-86-9 ]

Yield	Reaction Conditions	Operation in experiment
91%	With ammonium hydroxide; sodium bromate; acetic acid; In water; at 90 - 100℃; for 1.0h;	in room temperature, 1-Benzyl-1H-pyrazole-4carboxaldehyde (18.6 g, 0.1 mol), sodium bromate (7.5 g, 0.05 mol) and 200 g of acetic acid were mixed, and 50 g of ammonia water having a molecular weight concentration of 25% of ammonia was added. 300 ml of water, heated to 90 C, the reaction is exothermic, maintain the reaction temperature of 100 C, reflux reaction for 1 hour to 1-benzyl-1H-pyrazole-4 formaldehyde complete reaction, cooled to room temperature, the reaction solution was poured into ice water After quenching and dilution, the mixture was neutralized until the reaction liquid was neutral, extracted with dichloromethane, dried, and concentrated, and then distilled under reduced pressure and recrystallized to give a product of 16.6 g, yield 91%, purity 98% or more.

Reference： [1]Patent: CN108707113,2018,A .Location in patent: Paragraph 0032
[2]Heterocycles,1988,vol. 27,p. 2443 - 2458
[3]Heterocycles,1988,vol. 27,p. 2443 - 2458

17
[ 63874-95-3 ]
[ 121358-84-7 ]

Reference： [1]Heterocycles,1988,vol. 27,p. 2443 - 2458

18
[ 109-97-7 ]
[ 63874-95-3 ]
meso-tetrakis-(1-benzylpyrazol-4-yl)-porphyrin [ No CAS ]

Reference： [1]Tetrahedron,1995,vol. 51,p. 4779 - 4800

19
[ 606-23-5 ]
[ 63874-95-3 ]
2-(1-benzyl-1H-pyrazol-4-ylmethylene)-1H-indene-1,3(2H)-dione [ No CAS ]

Reference： [1]Heterocycles,1995,vol. 41,p. 2527 - 2552

21
[ 557-20-0 ]
[ 63874-95-3 ]
(R)-(+)-1-(1-benzyl-4-pyrazolyl)-1-propanol [ No CAS ]
(S)-(-)-1-(1-benzyl-4-pyrazolyl)-1-propanol [ No CAS ]

Reference： [1]Heterocycles,2000,vol. 53,p. 381 - 386

22
[ 625-81-0 ]
[ 63874-95-3 ]
(R)-(+)-1-(1-benzyl-4-pyrazolyl)-2-methyl-1-propanol [ No CAS ]
(S)-(-)-1-(1-benzyl-4-pyrazolyl)-2-methyl-1-propanol [ No CAS ]

Reference： [1]Heterocycles,2000,vol. 53,p. 381 - 386

23
[ 106-95-6 ]
[ 63874-95-3 ]
1-benzyl-4-buta-1,3-dienyl-1<i>H</i>-pyrazole [ No CAS ]

Reference： [1]Tetrahedron Letters,2004,vol. 45,p. 3409 - 3412

24
[ 63874-95-3 ]
(E)-3-(1-Benzyl-1H-pyrazol-4-yl)-acryloyl chloride [ No CAS ]

Reference： [1]Heterocycles,1988,vol. 27,p. 2443 - 2458

25
[ 63874-95-3 ]
(E)-ethyl 3-(1-benzyl-4-pyrazolyl)acrylate [ No CAS ]

Reference： [1]Heterocycles,1988,vol. 27,p. 2443 - 2458

26
[ 63874-95-3 ]
O-acetyl-1-benzylpyrazole-4-carbaldoxime [ No CAS ]

Reference： [1]Heterocycles,1988,vol. 27,p. 2443 - 2458

27
[ 63874-95-3 ]
[ 132549-04-3 ]

Reference： [1]Monatshefte fur Chemie,1990,vol. 121,p. 837 - 846

28
[ 63874-95-3 ]
[ 157119-79-4 ]
[ 851595-82-9 ]

Yield	Reaction Conditions	Operation in experiment
	With piperidine; In ethanol; for 14h;Heating / reflux;	EXAMPLE 17; Preparation of a Compound of Formula (3); O O Non DN) 2 0/4 EtOH, Piperdinp Sst O''N HN Reflux N N [0131] To a solution of the [l-benzylpyrazol-4-yl] formaldehyde prepared in Example 15 (0.26g, 1. 4mmol) in ethanol (4ml) was added piperdine (0.14uL, 1. 4mmol) and 6- methyl-5-nitro-1, 3-dipropyl-1, 3-dihydropyrimidine-2,4-dione, as prepared in Example 9, (0. 355g, 1. 4mmol). The mixture was stirred and heated to reflux for 14 hours. The mixture was concentrated and purified using preparative thin layer chromatography (5% MeOH in Dichloromethane) to yield 6-f (lE)-2- [l-benzylpyrazol-4-yl] vinyl}-5- nitro-1, 3-dipropyl-1, 3-dihydropyrimidine-2, 4-dione (0.24g, M+l = 424.01)

Reference： [1]Patent: WO2005/42534,2005,A2 .Location in patent: Page/Page column 43-44

29
[ 70817-17-3 ]
[ 63874-95-3 ]

Yield	Reaction Conditions	Operation in experiment
46%		(1-Benzyl-1H-pyrazol-4-yl)methanol (190 mg, 1.0 mmol) in DCM (8 mL) at rt was treated with Dess-Martin periodinane (670 mg, 1.58 mmol). After 1.5 h, the reaction was quenched with a mixture of saturated solution of sodium thiosulfate and 10% NaHCO3 (1:1) at rt, stirred for 30 min before extraction with DCM (3*30 mL). The combined extracts were washed with a saturated aqueous solution of NaHCO3, brine, dried (Na2SO4), filtered and concentrated. Purification by flash chromatography (Isco CombiFlash) 0-40% EtOAc/heptane provided 1-benzyl-1H-pyrazole-4-carbaldehyde (86 mg, 46%). 1H NMR (400 MHz, CDCl3) delta ppm 5.35 (s, 2H), 7.27-7.30 (m, 2H), 7.36-7.43 (m, 3H), 7.88 (s, 1H), 8.01 (s, 1H), 9.85 (s, 1H); LCMS-MS (ESI+) 186.90 (M+H).
	With Dess-Martin periodane; In dichloromethane; at 0 - 20℃; for 1h;	EXAMPLE 15; Preparation of a Compound of Formula (2); Dess-Martin Periodinane O zu CH CI H =N HO/tN 2 =N [0129] The [l-benzylpyrazol-4-yl] methan-1-ol prepared in Example 11 (0.376g, 2. Ommol) was placed in dichloromethane (lOml) and added dropwise to a cooled solution (0 C) of Dess-Martin Periodinane (1.27g, 3. 0mmol) in dichloromethane (20ml). The reaction was allowed to stir at room temperature for one hour and then concentrated. Diethyl ether (50ml) was added and a white solid formed. The solid was removed by filtration and further washed with ether. The filtrate was concentrated and the residue dissolved in dichloromethane (50ml). The organic layer was washed with saturated sodium bicarbonate (2x40ml) and brine solution (20ml) and concentrated to yield [l-benzylpyrazol-4-yl] formaldehyde (0.26g).

Reference： [1]Patent: US2008/4327,2008,A1 .Location in patent: Page/Page column 76
[2]Patent: WO2005/42534,2005,A2 .Location in patent: Page/Page column 42-43

30
[ 431-67-4 ]
[ 63874-95-3 ]
[ 63874-96-4 ]

Yield	Reaction Conditions	Operation in experiment
	With ammonia; sodium acetate trihydrate; In methanol; water;	EXAMPLE 48 2-(1-BENZYL-4-PYRAZOLYL)-4-TRIFLUOROMETHYLIMIDAZOLE To a solution of sodium acetate trihydrate (5.9 g.) in water (20 ml.) is added 1,1-dibromo-3,3,3-trifluoroacetone (5.9 g., 0.022 mole). The solution is heated 45 minutes at steam bath temperature and then cooled. The solution is added to a solution of 1-benzyl-4-pyrazolecarboxaldehyde (3.6 g., 0.02 mole) in methanol (75 ml.) and concentrated aqueous ammonia (25 ml.). The reaction mixture is allowed to stand 4.5 hours at room temperature. The mixture is concentrated to afford an oil which, on trituration with hexane, gives a solid. After recrystallization from benzene 0.7 g. of 2-(1-benzyl-4-pyrazolyl)-4-trifluoromethylimidazole, m.p., 157-159.5 C., is obtained.

Reference： [1]Patent: US4032522,1977,A

31
[ 1779-49-3 ]
[ 63874-95-3 ]
[ 1235542-25-2 ]

Reference： [1]Journal of the American Chemical Society,2010,vol. 132,p. 10015 - 10017

32
[ 63874-95-3 ]
1-benzylpyrazol-4-yl formate [ No CAS ]

Reference： [1]Tetrahedron Letters,2011,vol. 52,p. 4448 - 4451
[2]Chemical and Pharmaceutical Bulletin,2012,vol. 60,p. 1550 - 1560

33
[ 63874-95-3 ]
[ 226989-35-1 ]

Reference： [1]Tetrahedron Letters,2011,vol. 52,p. 4448 - 4451
[2]Chemical and Pharmaceutical Bulletin,2012,vol. 60,p. 1550 - 1560

34
[ 50877-42-4 ]
[ 68-12-2 ]
[ 63874-95-3 ]

Yield	Reaction Conditions	Operation in experiment
30%		b) 1 -Benzyl- 1 H -pyrazole-4 -carbaldehyde (A 148) 1-Benzyl-4-iodo-1 H-pyrazole A147 (859 mg, 3.02 mmol) in THF (5 mL) was cooled to 0 C under nitrogen before a 2.0 M solution of isopropylmagnesium chloride in THF (1.66 mL, 3.33 mmol) was added. After 1 hour, DMF (0.5 mL) was added. The mixture was stirred for 30 minutes at 0 C then a further 30 minutes at room temperature. The mixture was quenched with a saturated aqueous solution of ammonium chloride (10 mL), diluted with water (20 mL) and extracted with CHCI3 (3 chi 25 mL). The pooled organics were washed with brine (50 mL), dried with sodium sulfate and concentrated in vacuo. The crude material was purified by column chromatography (12 g Si02 cartridge, 0-50% EtOAc in hexanes) to give the title compound as a colourless oil (170 mg, 30%). H NMR (400 MHz, CDCI3) delta 9.83 (s, 1 H), 8.00 (s, 1 H), 7.88 (s, 1 H), 7.42-7.33 (m, 3H), 7.29-7.25 (m, 2H), 5.33 (s, 2H). LCMS-B: rt 3.10 min, m/z (positive ion) 187.1 [M+H]+.

Reference： [1]Chemical and Pharmaceutical Bulletin,2012,vol. 60,p. 1550 - 1560
[2]Patent: WO2014/128465,2014,A1 .Location in patent: Page/Page column 161

35
[ 63874-95-3 ]
[ 1326316-24-8 ]
[ 1326316-31-7 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2012,vol. 60,p. 1550 - 1560

36
[ 63874-95-3 ]
[ 1326316-19-1 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2012,vol. 60,p. 1550 - 1560

37
[ 100-39-0 ]
[ 63874-95-3 ]

Reference： [1]Patent: WO2014/128465,2014,A1

38
tert-butyl 4-(5,6-diaminopyridin-3-yl)piperidine-1-carboxylate [ No CAS ]
[ 63874-95-3 ]
2-(1-benzyl-1H-pyrazol-4-yl)-6-(piperidin-4-yl)-3H-imidazo[4,5-b]pyridine [ No CAS ]

Reference： [1]Patent: WO2014/128465,2014,A1

39
tert-butyl 4-(5,6-diaminopyridin-3-yl)piperidine-1-carboxylate [ No CAS ]
[ 63874-95-3 ]
tert-butyl 4-(2-(1-benzyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-6-yl)piperidine-1-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
34%		c) tert-Butyl 4-(2-(1 -benzyl-1 H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-6-yl)piperidine-1 - carboxylate (A 149) 1-Benzyl-1 H-pyrazole-4-carbaldehyde A148 (85.0 mg, 0.456 mmol), fert-butyl 4-(5,6- diaminopyridin-3-yl)piperidine-1-carboxylate A32 (133 mg, 0.456 mmol) and absolute EtOH (1.5 mL) were heated to 80C. After 18 hours, the mixture was cooled and the solvent evaporated. THF (1 mL) and Phl(OAc)2 (147 mg, 0.456 mmol) were added and the mixture stirred for three hours at room temperature. The mixture was added to water (30 mL) and extracted with EtOAc (3 chi 30 mL). The pooled organic phases were washed with brine, dried over sodium sulfate and concentrated in vacuo. Purification by column chromatography (4 g Si02 cartridge, 0-100% EtOAc in hexanes, then 0-20% MeOH in EtOAc) gave the title compound as an orange-brown solid (71 mg, 34%). LCMS-B: rt 3.23 min, m/z (positive ion) 459.3 [M+H]+.

Reference： [1]Patent: WO2014/128465,2014,A1 .Location in patent: Page/Page column 161

40
[ 64-18-6 ]
(S)-5-chloro-2-fluoro-4-(methyl(pyrrolidin-3-yl)amino)-N-(thiazol-4-yl)benzenesulfonamide [ No CAS ]
[ 63874-95-3 ]
(S)-4-((1-((1-benzyl-1H-pyrazol-4-yl)methyl)pyrrolidin-3-yl)(methyl)amino)-5-chloro-2-fluoro-N-(thiazol-4-yl)benzenesulfonamide formate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		General procedure: Step 7. Preparation of (S)-5-chloro-4-((1-((6-(difluoromethyl)-3-fluoropyridin-2- yl)methyl)pyrrolidin-3-yl)(methyl)amino)-2-fluoro-//-(thiazol-4- yl)benzenesulfonamide formate To a solution of (S)-5-chloro-2-fluoro-4-(methyl(pyrrolidin-3-yl)amino)-//- (thiazol-4-yl)benzenesulfonamide (0.100 g, 0.234 mmol) and 6-(difluoromethyl)-3- fluoropicolinaldehyde (0.102 g, 0.585 mmol) in dichloromethane (5 ml_) was added acetic acid (0.50 ml_) and sodium triacetoxyborohydride (0.148 g, 0.702 mmol) portionwise and the resulting mixture was stirred at ambient temperature for 1 h. Concentration in vacuo and purification of the residue by preparative reverse phase HPLC, using acetonitrile in water containing 0.225% formic acid as eluent, afforded the title compound as a colorless solid (0.017 g, 13% yield): H NMR (400 MHz, CD3OD) delta 8.74 (d, J = 2.2 Hz, 1 H), 8.40 (br s, 0.8H), 7.83-7.71 (m, 3H), 7.04 (d, J = 2.2 Hz, 1 H), 7.00 (d, J = 12.0 Hz, 1 H), 6.75 (t, J = 55.2 Hz, 1 H), 4.35-4.26 (m, 1 H), 4.16-4.02 (m, 2H), 3.09-2.96 (m, 3H), 2.92-2.84 (m, 1 H), 2.83 (s, 3H), 2.22-2.12 (m, 1 H), 2.05-1.92 (m, 1 H), NH and COOH not observed; MS (ES+) m/z 549.9 (M + 1), 551.9 (M + 1).

Reference： [1]Patent: WO2017/201468,2017,A1 .Location in patent: Page/Page column 243-244

41
[ 63874-95-3 ]
1-benzyl-4-hydroxy-5-(1-phenyl-2-propenyl)-1H-pyrazole [ No CAS ]

Reference： [1]Molecules,2018,vol. 23

42
[ 63874-95-3 ]
5-(1-phenyl-2-propenyl)-4-allyloxy-1-benzyl-1H-pyrazole [ No CAS ]

Reference： [1]Molecules,2018,vol. 23

43
[ 63874-95-3 ]
1-benzyl-5,8-dihydro-8-phenyl-1H-oxepino[3,2-c]pyrazole [ No CAS ]

Reference： [1]Molecules,2018,vol. 23

44
[ 4784-77-4 ]
[ 63874-95-3 ]
(E)-1-benzyl-4-(2-butenyl)oxy-1H-pyrazole [ No CAS ]
(Z)-1-benzyl-4-(2-butenyl)oxy-1H-pyrazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		General procedure: General procedure: To a solution of 4-formyl-1H-1-tritylprazole (8a) (94.6 mg, 0.28 mmol) inCH2Cl2 (6 mL) was added 70% mCPBA (131.8 mg, 0.53 mmol) at 0 C, with stirring. After 5 h,saturated NaHCO3 aq (10 mL) was added to quench the reaction mixture. The mixture was extractedwith CH2Cl2 3 times. Combined organic layer was dried over MgSO4, filtered, and condensedunder reduced pressure to give a crude formate. To an acetone solution of the crude formate (6 mL),20% NaOH aq (4 mL) was added, then the mixture was heated under reflux for 1 h, then crotyl bromide(48 L, 0.42 mmol) was added to the cooled mixture. After stirring for 3 h, saturated NH4Cl aq wasadded to the reaction mixture to quench, the mixture was condensed under reduced pressure, extractedwith CH2Cl2 for 3 times. The combined CH2Cl2 layer was dried over MgSO4, filtered, and condensedunder reduced pressure to give a crude residue, which was purified with flash column chromatography(EtOAc:Hexane = 1:10) to give 4-(2-butenyl)oxy-1H-1-tritylpyrazole (1e) (54.5 mg, 51%).

Reference： [1]Molecules,2018,vol. 23

45
[ 63874-95-3 ]
[ 870-63-3 ]
1-benzyl-4-(3-methyl-2-butenyl)oxy-1H-pyrazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
44%		General procedure: General procedure: To a solution of 4-formyl-1H-1-tritylprazole (8a) (94.6 mg, 0.28 mmol) inCH2Cl2 (6 mL) was added 70% mCPBA (131.8 mg, 0.53 mmol) at 0 C, with stirring. After 5 h,saturated NaHCO3 aq (10 mL) was added to quench the reaction mixture. The mixture was extractedwith CH2Cl2 3 times. Combined organic layer was dried over MgSO4, filtered, and condensedunder reduced pressure to give a crude formate. To an acetone solution of the crude formate (6 mL),20% NaOH aq (4 mL) was added, then the mixture was heated under reflux for 1 h, then crotyl bromide(48 L, 0.42 mmol) was added to the cooled mixture. After stirring for 3 h, saturated NH4Cl aq wasadded to the reaction mixture to quench, the mixture was condensed under reduced pressure, extractedwith CH2Cl2 for 3 times. The combined CH2Cl2 layer was dried over MgSO4, filtered, and condensedunder reduced pressure to give a crude residue, which was purified with flash column chromatography(EtOAc:Hexane = 1:10) to give 4-(2-butenyl)oxy-1H-1-tritylpyrazole (1e) (54.5 mg, 51%).

Reference： [1]Molecules,2018,vol. 23

46
[ 63874-95-3 ]
[ 4392-24-9 ]
(E/Z)-1-benzyl-4-(3-phenyl(2-propenyl))oxy-1H-pyrazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
23%		General procedure: General procedure: To a solution of 4-formyl-1H-1-tritylprazole (8a) (94.6 mg, 0.28 mmol) inCH2Cl2 (6 mL) was added 70% mCPBA (131.8 mg, 0.53 mmol) at 0 C, with stirring. After 5 h,saturated NaHCO3 aq (10 mL) was added to quench the reaction mixture. The mixture was extractedwith CH2Cl2 3 times. Combined organic layer was dried over MgSO4, filtered, and condensedunder reduced pressure to give a crude formate. To an acetone solution of the crude formate (6 mL),20% NaOH aq (4 mL) was added, then the mixture was heated under reflux for 1 h, then crotyl bromide(48 L, 0.42 mmol) was added to the cooled mixture. After stirring for 3 h, saturated NH4Cl aq wasadded to the reaction mixture to quench, the mixture was condensed under reduced pressure, extractedwith CH2Cl2 for 3 times. The combined CH2Cl2 layer was dried over MgSO4, filtered, and condensedunder reduced pressure to give a crude residue, which was purified with flash column chromatography(EtOAc:Hexane = 1:10) to give 4-(2-butenyl)oxy-1H-1-tritylpyrazole (1e) (54.5 mg, 51%).

Reference： [1]Molecules,2018,vol. 23

47
[ 63874-95-3 ]
(E)-methyl 4-((1-benzyl-1H-pyrazol-4-yl)oxy)but-2-enoate [ No CAS ]

Reference： [1]Molecules,2019,vol. 24

48
[ 63874-95-3 ]
methyl 2-(1-benzyl-4-hydroxy-1H-pyrazol-5-yl)but-3-enoate [ No CAS ]
1-benzyl-4-hydroxy-5-((1-methoxycarbonyl)propenyl)-1H-pyrazole [ No CAS ]

Reference： [1]Molecules,2019,vol. 24

49
[ 63874-95-3 ]
[ 401647-24-3 ]

Reference： [1]Chemico-Biological Interactions,2019,vol. 304,p. 194 - 201

50
8-methyl-2-((piperidin-4-ylthio)methyl)quinazolin-4(3H)-one trifluoroacetate [ No CAS ]
[ 63874-95-3 ]
C₂₆H₂₉N₅OS*C₂HF₃O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium tris(acetoxy)borohydride; In tetrahydrofuran; at 20℃;Inert atmosphere;	General procedure: To a solution of Example 13 (53 mg, 0.17 mmol, 1.0 eq) and 1-methyl-1H-imidazole-2-carbaldehyde (28 mg, 0.25 mmol, 1.5 eq) in THF (2 mL) under a N2 atmosphere was added NaBH(OAc)3 (72 mg, 0.34 mmol, 2.0 eq) and the mixture was stirred at RT overnight. The mixture was purified by C18 reverse phase column (Biotage, 30% to 70% ACN in water, 0.1% TFA) to afford the title compound (22 mg, 34%) as a white solid. LCMS: [M+H]+ 384.2. 1H NMR (400 MHz, CDCl3) delta 8.10 (d, J=8.4 Hz, 1H), 7.65 (d, J=7.2 Hz, 1H), 7.41 (s, 2H), 7.20 (s, 1H), 4.78 (s, 2H), 3.98 (s, 3H), 3.80 (s, 2H), 3.40 (m, 2H), 3.17-3.00 (m, 3H), 2.59 (s, 3H), 2.24 (m, 2H), 1.95 (m, 2H).

Reference： [1]Patent: US2019/194174,2019,A1 .Location in patent: Paragraph 0643; 0644; 0645; 0646

51
[ 63874-95-3 ]
2-amino-1-(1-benzylpyrazol-4-yl)ethanol [ No CAS ]

Reference： [1]Patent: WO2019/148132,2019,A1
[2]Patent: WO2019/148136,2019,A1

52
[ 63874-95-3 ]
6-(1-benzylpyrazol-4-yl)-2-methyl-morpholin-3-one [ No CAS ]

Reference： [1]Patent: WO2019/148132,2019,A1
[2]Patent: WO2019/148136,2019,A1

53
[ 75-52-5 ]
[ 63874-95-3 ]
1-(1-benzylpyrazol-4-yl)-2-nitroethanol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
37%	With triethylamine; at 20℃; for 18h;Cooling with ice;	To a solution of <strong>[63874-95-3]1-benzylpyrazole-4-carbaldehyde</strong> (2 g, 10.7 mmol) and nitromethane (7 mL, 129 mmol) cooled in an ice bath was added Et3N (150 muL, 1.1 mmol). The mixture was stirred with cooling for 15 minutes, then at ambient temperature for 18 hours. The reaction mixture was concentrated in vacuo and the residue purified by column chromatography (silica, PE/EtOAc gradient elution) to give 1-(1-benzylpyrazol-4-yl)-2-nitro-ethanol as a colourless oil (1g, 37%), which was taken directly on to next reaction; MS m/z: 248 (M+H)+
37%	With triethylamine; at 20℃; for 18.25h;Cooling with ice;	To a solution of <strong>[63874-95-3]1-benzylpyrazole-4-carbaldehyde</strong> (2 g, 10.7 mmol) and nitromethane (7 mL, 129 mmol) cooled in an ice bath, was added Et3N (150 L, 1.1 mmol). The mixture was stirred with cooling for 15 minutes, then at ambient temperature for 18 hours. The reaction mixture was concentrated in vacuo and the residue purified by chromatography (silica, EtOAc/Petroleum ether gradient elution). The relevant fractions were combined and concentrated in vacuo to give a colourless oil (1 g, 37%); MS m/z: 248 (M+H)+. This material was taken directly onto the next reaction.

Reference： [1]Patent: WO2019/148132,2019,A1 .Location in patent: Paragraph 00494; 00494
[2]Patent: WO2019/148136,2019,A1 .Location in patent: Paragraph 00375

54
[ 484-42-4 ]
[ 63874-95-3 ]
C₇₃H₉₇N₁₉O₁₄ [ No CAS ]

Reference： [1]ChemBioChem,2020,vol. 21,p. 1274 - 1278

Same Skeleton Products

Related Products

Historical Records

Related Functional Groups of
[ 63874-95-3 ]

Aryls

[ 153687-35-5 ]

1-(4-Methoxybenzyl)-1H-pyrazole-4-carbaldehyde

Similarity: 0.82

[ 54605-72-0 ]

1-Phenylpyrazole-4-carboxaldehyde

Similarity: 0.79

[ 1105039-93-7 ]

1-(4-Methoxybenzyl)-1H-pyrazole-4-carboxylic acid

Similarity: 0.77

[ 98700-53-9 ]

1,5-Diphenyl-1H-pyrazole-4-carboxylic acid

Similarity: 0.77

[ 28466-62-8 ]

1-Benzyl-1H-pyrazol-4-amine

Similarity: 0.76

Aldehydes

[ 473249-36-4 ]

1-Propyl-1H-pyrazole-4-carbaldehyde

Similarity: 0.82

[ 153687-35-5 ]

1-(4-Methoxybenzyl)-1H-pyrazole-4-carbaldehyde

Similarity: 0.82

[ 1006333-32-9 ]

1-Isobutyl-1H-pyrazole-4-carbaldehyde

Similarity: 0.80

[ 54605-72-0 ]

1-Phenylpyrazole-4-carboxaldehyde

Similarity: 0.79

[ 304903-10-4 ]

1-Ethyl-1H-pyrazole-4-carbaldehyde

Similarity: 0.77

Related Parent Nucleus of
[ 63874-95-3 ]

Pyrazoles

[ 473249-36-4 ]

1-Propyl-1H-pyrazole-4-carbaldehyde

Similarity: 0.82

[ 153687-35-5 ]

1-(4-Methoxybenzyl)-1H-pyrazole-4-carbaldehyde

Similarity: 0.82

[ 1006333-32-9 ]

1-Isobutyl-1H-pyrazole-4-carbaldehyde

Similarity: 0.80

[ 54605-72-0 ]

1-Phenylpyrazole-4-carboxaldehyde

Similarity: 0.79

[ 304903-10-4 ]

1-Ethyl-1H-pyrazole-4-carbaldehyde

Similarity: 0.77

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. 63874-95-3 ] {[proInfo.proName]}

Quality Control of [ 63874-95-3 ]

Related Doc. of [ 63874-95-3 ]

Product Details of [ 63874-95-3 ]

Calculated chemistry of [ 63874-95-3 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 63874-95-3 ]

Application In Synthesis of [ 63874-95-3 ]

[ 63874-95-3 ] Synthesis Path-Upstream 1~5

[ 63874-95-3 ] Synthesis Path-Downstream 1~54

Related Functional Groups of [ 63874-95-3 ]

Aryls

Aldehydes

Related Parent Nucleus of [ 63874-95-3 ]

Pyrazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 63874-95-3 ]

Related Parent Nucleus of
[ 63874-95-3 ]