[ CAS No. 277299-70-4 ] {[proInfo.proName]}

Name: 277299-70-4|2-(3,4-Dimethylphenyl)-5-methyl-1H-pyrazol-3(2H)-one|95%
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Quality Control of [ 277299-70-4 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 277299-70-4 ]

CAS No. :	277299-70-4	MDL No. :	MFCD09795980
Formula :	C₁₂H₁₄N₂O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HBWBJCSXUJIDGN-UHFFFAOYSA-N
M.W :	202.25	Pubchem ID :	11735829
Synonyms :

Calculated chemistry of [ 277299-70-4 ]

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	11
Fraction Csp3 :	0.25
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	61.29
TPSA :	37.79 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) :	-5.7 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.41
Log Po/w (XLOGP3) :	2.58
Log Po/w (WLOGP) :	2.09
Log Po/w (MLOGP) :	2.46
Log Po/w (SILICOS-IT) :	3.04
Consensus Log Po/w :	2.52

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.2
Solubility :	0.129 mg/ml ; 0.000637 mol/l
Class :	Soluble
Log S (Ali) :	-3.02
Solubility :	0.192 mg/ml ; 0.00095 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.0
Solubility :	0.0202 mg/ml ; 0.0000998 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.94

Safety of [ 277299-70-4 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 277299-70-4 ]

* 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 [ 277299-70-4 ]
Downstream synthetic route of [ 277299-70-4 ]

[ 277299-70-4 ] Synthesis Path-Upstream 1~2

1
[ 141-97-9 ]
[ 60481-51-8 ]
[ 277299-70-4 ]

Yield	Reaction Conditions	Operation in experiment
76%	With sodium bicarbonate; sodium acetate In diethyl ether; acetic acid	f 1-(3,4-Dimethylphenyl)-3-methyl-3-pyrazolin-5-one A solution of 3,4-dimethylphenylhydrazine hydrochloride (17.7 g; 0.1 mol.), ethyl acetoacetate (13.0 g; 0.1 mol.) and sodium acetate (8.2 g; 0.1 mol.) in glacial acetic acid (250 mL) was stirred and heated under reflux for 24 h. The mixture was cooled and evaporated and the residue dissolved in diethyl ether (IL) and carefully washed with sat. aqu. sodium hydrogen carbonate (5*200 mL). The ethereal layer was evaporated to afford the title compound (15.4 g; 76percent). ¹H NMR (300 MHz, d₆-DMSO) δ11.30 (br s, 1H), 7.49 (d, J=1.4 Hz, 1H), 7.43 (dd, J=8.2 Hz, 1H), 7.14 (d, J=8.2 Hz, 1H), 5.31 (s, 1H), 2.20 (s, 3H), 2.22 (s, 3H), 2.08 (s, 3H); MS(ES) m/z 203 [M+H].
76%	With sodium acetate In acetic acid for 24 h; Heating / reflux	A solution of 3,4-dimethylphenylhydrazine hydrochloride (17.7 g; 0.1 mol.), ethyl acetoacetate (13.0 g; 0.1 mol.) and sodium acetate (8.2 g; 0.1 mol.) in glacial acetic acid; (250 mL) was stirred and heated under reflux for 24 h. [0378] The mixture was cooled and evaporated and the residue dissolved in diethyl ether (1L) and carefully washed with sat. aqu. sodium hydrogen carbonate (5.x.200 mL). The ethereal layer was evaporated to afford the title compound (15.4 g; 76percent). 1H NMR (300 MHz, d6-DMSO) δ 11.30 (br s, 1H), 7.49 (d, J=1.4 Hz, 1H), 7.43 (dd, J=8.2 Hz, 1H), 7.14 (d, J=8.2 Hz, 1H), 5.31 (s, 1H), 2.20 (s, 3H), 2.22 (s, 3H), 2.08 (s, 3H); MS(ES) m/z 203 [M+H].
76%	for 24 h; Reflux	A solution of 3,4-dimethylphenylhydrazine hydrochloride (17.7 g; 0.1 mol.), ethyl acetoacetate (13.0 g; 0.1 mol.) and sodium acetate (8.2 g; 0.1 mol.) in glacial acetic acid; (250 mL) was stirred and heated under reflux for 24h. The mixture was cooled and evaporated and the residue dissolved in diethyl ether (1L) and carefully washed with saturated aqueous sodium hydrogen carbonate (5 x 200 mL). The ethereal layer was evaporated to afford the title compound (15.4 g; 76percent).

Reference： [1] Patent: US2004/53299, 2004, A1,
[2] Patent: US2004/19190, 2004, A1, . Location in patent: Page 17
[3] Patent: WO2016/35018, 2016, A1, . Location in patent: Page/Page column 13

2
[ 141-97-9 ]
[ 13636-53-8 ]
[ 277299-70-4 ]

Reference： [1] Patent: US6552008, 2003, B1,

[ 277299-70-4 ] Synthesis Path-Downstream 1~11

1
[ 141-97-9 ]
[ 60481-51-8 ]
[ 277299-70-4 ]

Yield	Reaction Conditions	Operation in experiment
76%	With sodium bicarbonate; sodium acetate; In diethyl ether; acetic acid;	f 1-(3,4-Dimethylphenyl)-3-methyl-3-pyrazolin-5-one A solution of 3,4-dimethylphenylhydrazine hydrochloride (17.7 g; 0.1 mol.), ethyl acetoacetate (13.0 g; 0.1 mol.) and sodium acetate (8.2 g; 0.1 mol.) in glacial acetic acid (250 mL) was stirred and heated under reflux for 24 h. The mixture was cooled and evaporated and the residue dissolved in diethyl ether (IL) and carefully washed with sat. aqu. sodium hydrogen carbonate (5*200 mL). The ethereal layer was evaporated to afford the title compound (15.4 g; 76percent). 1H NMR (300 MHz, d6-DMSO) delta11.30 (br s, 1H), 7.49 (d, J=1.4 Hz, 1H), 7.43 (dd, J=8.2 Hz, 1H), 7.14 (d, J=8.2 Hz, 1H), 5.31 (s, 1H), 2.20 (s, 3H), 2.22 (s, 3H), 2.08 (s, 3H); MS(ES) m/z 203 [M+H].
76%	With sodium acetate; In acetic acid; for 24h;Heating / reflux;	A solution of 3,4-dimethylphenylhydrazine hydrochloride (17.7 g; 0.1 mol.), ethyl acetoacetate (13.0 g; 0.1 mol.) and sodium acetate (8.2 g; 0.1 mol.) in glacial acetic acid; (250 mL) was stirred and heated under reflux for 24 h. [0378] The mixture was cooled and evaporated and the residue dissolved in diethyl ether (1L) and carefully washed with sat. aqu. sodium hydrogen carbonate (5.x.200 mL). The ethereal layer was evaporated to afford the title compound (15.4 g; 76percent). 1H NMR (300 MHz, d6-DMSO) delta 11.30 (br s, 1H), 7.49 (d, J=1.4 Hz, 1H), 7.43 (dd, J=8.2 Hz, 1H), 7.14 (d, J=8.2 Hz, 1H), 5.31 (s, 1H), 2.20 (s, 3H), 2.22 (s, 3H), 2.08 (s, 3H); MS(ES) m/z 203 [M+H].
76%	With sodium acetate; acetic acid; for 24h;Reflux;	A solution of 3,4-dimethylphenylhydrazine hydrochloride (17.7 g; 0.1 mol.), ethyl acetoacetate (13.0 g; 0.1 mol.) and sodium acetate (8.2 g; 0.1 mol.) in glacial acetic acid; (250 mL) was stirred and heated under reflux for 24h. The mixture was cooled and evaporated and the residue dissolved in diethyl ether (1L) and carefully washed with saturated aqueous sodium hydrogen carbonate (5 x 200 mL). The ethereal layer was evaporated to afford the title compound (15.4 g; 76percent).

Reference： [1]Patent: US2004/53299,2004,A1
[2]Patent: US2004/19190,2004,A1 .Location in patent: Page 17
[3]Patent: WO2016/35018,2016,A1 .Location in patent: Page/Page column 13

2
[ 277299-70-4 ]
[ 570-23-0 ]
3-[1-(3,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]azo}-2-hydroxybenzoic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
32%		EXAMPLE 10 Preparation of 3-[1-(3,4-Dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]azo}-2-hydroxybenzoic Acid Following the procedure of Example 1, except substituting <strong>[277299-70-4]1-(3,4-dimethylphenyl)-3-methyl-3-pyrazolin-5-one</strong> for 3-methyl-1-(4-methylphenyl)-3-pyrazolin-5-one and 3-amino-2-hydroxybenzoic acid for 4-amino-3-hydroxybenzoic acid, the title compound was prepared as an orange solid (0.40 g, 32%). 1H NMR (400 MHz, d6-DMSO) delta 7.83 (m, 2H), 7.59 (d, J=7.8 Hz, 1H), 7.50 (d, J=7.8 Hz, 1H), 7.09 (d, J=8.0Hz, 1H), 6.60 (t, J=7.8 Hz, 1H), 2.29 (s, 3H), 2,24 (s, 3H), 2.21 (s, 3H).

Reference： [1]Patent: US6642265,2003,B1

3
[ 141-97-9 ]
[ 13636-53-8 ]
[ 277299-70-4 ]

Yield	Reaction Conditions	Operation in experiment
64%	In acetic acid;	a 1-(3,4-Dimethylphenyl)-3-methyl-3-pyrazolin-5-one A solution of 3,4-dimethylphenylhydrazine (7.3 g; 0.053 mol.) and ethyl acetoacetate (6.9 g; 0.053 mol.) in glacial acetic acid (50.0 mL) was stirred and heated at 100 for 24h. The solvent was evaporated and the product purified by chromatography (silica gel, 50% ethyl acetate/hexanes) to afford the title compound (16.8 g; 64%). MS(ES) m/z 203 [M+H].

Reference： [1]Patent: US6552008,2003,B1

4
[ 277299-70-4 ]
[ 1571-72-8 ]
3-[1-(3,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]azo}-4-hydroxybenzoic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
82%		EXAMPLE 7 Preparation of 3-[1-(3,4-Dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]azo}-4-hydroxybenzoic Acid Following the procedure of Example 1, except substituting <strong>[277299-70-4]1-(3,4-dimethylphenyl)-3-methyl-3-pyrazolin-5-one</strong> for 3-methyl-1-(4-methylphenyl)-3-pyrazolin-5-one and 3-amino-4-hydroxybenzoic acid for 4-amino-3-hydroxybenzoic acid, the title compound was prepared as an orange solid (1.5 g, 82%). 1H NMR (400 MHz, d6-DMSO) delta 13.5 br s, 1H), 11.7 (s, 1H), 8.13 (d, J=2.0 Hz, 1H), 7.69-7.59 (m, 3H), 7.17 (d, J=8.4 Hz, 1H), 7.10 (d, J=8.5 Hz, 1H), 2.30 (s, 3H), 2.25 (s, 3H), 2.20 (s, 3H).

Reference： [1]Patent: US6642265,2003,B1

5
[ 277299-70-4 ]
4-[1-(3,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]azo}-3-hydroxybenzoic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
82%		b 4-[1-(3,4-Dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]azo}-3-hydroxybenzoic Acid Following the procedure of Example 1, except substituting <strong>[277299-70-4]1-(3,4-dimethylphenyl)-3-methyl-3-pyrazolin-5-one</strong> for 3-methyl-1-(4-methylphenyl)-3-pyrazolin-5-one, the title compound was prepared as an orange solid (1.5 g, 82%). 1H NMR (400 MHz, d6-DMSO) delta 13.5 br s, 1H), 11.0 (s, 1H), 7.70 (m, 2H), 7.61 (dd, J=8.2 and 2.1 Hz, 1H), 7.53 (m, 2), 8.20 (d, J=8.2 Hz, 1H), 2.30 (s, 3H), 2.27 (s, 3H), 2.22 (s, 3H).

Reference： [1]Patent: US6642265,2003,B1

6
[ 277299-70-4 ]
[ 88-23-3 ]
5-chloro-3-[1-(3,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]azo}-2-hydroxybenzenesulfonic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
34%		EXAMPLE 11 Preparation of 5-Chloro-3-[1-(3,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]azo}-2-hydroxybenzenesulfonic Acid Following the procedure of Example 1, except substituting <strong>[277299-70-4]1-(3,4-dimethylphenyl)-3-methyl-3-pyrazolin-5-one</strong> for 3-methyl-1-(4-methylphenyl)-3-pyrazolin-5-one and 3-amino-5-chloro-2-hydroxybenzenesulfonic acid for 4-amino-3-hydroxybenzoic acid, the title compound was prepared as a red solid (0.74 g, 34%). mp 240 C. (decomp). MS(ES) m/z 437, 435 [M-H].

Reference： [1]Patent: US6642265,2003,B1

7
[ 277299-70-4 ]
[ 376591-78-5 ]
[ 376591-84-3 ]

Yield	Reaction Conditions	Operation in experiment
35%		A suspension of the compound from Example 1c) (1.0 g; 0.0044 mol.) in 1M aqu. hydrochloric acid; (15.0 mL) was cooled to 5 C. then treated dropwise with a solution of sodium nitrite (0.32 g; 0.0046 mol.) in water (5.0 mL). The yellow mixture was stirred at 5 C. for a further 10 min. then treated in one portion with the compound from Example 1d) (0.882 g, 0.0044 mol.) followed by the portion-wise addition of sodium hydrogen carbonate (1.8 g; 0.022 mol.) and ethanol (20.0 mL) ensuring the final pH of the reaction mixture is approximately 7-8. The red solution was then stirred at room temperature for 24 h. [0381] The mixture was filtered to give a red solid which was slurried in water (50.0 mL) and then acid;ified with concentrated hydrochloric acid;. Filtration afforded the title compound (0.68 g; 35%) as an orange powder, mp=280 C. (dec.).. 1H NMR (300 MHz, d6-DMSO) delta 13.62 (s, 1H), 13.2-12.2 (br s, 1H), 10.92 (s, 1H), 8.02 (d, J=8.2 Hz, 2H), 7.73-7.69 (m, 5H), 7.63 (d, 8.2 Hz, 1H), 7.31 (d, J=8.4 Hz, 1H), 7.29 (s, 1H), 71.9 (d, J=8.4 Hz, 1H), 2.30 (s, 3H), 2.26 (s, 3H), 2.2 (s, 3H); Anal. (C25H22N4O4.0.5H2O) calcd: C, 66.51; H, 5.13; N, 12.41. found: C, 66.74; H, 5.08; N, 12.36.

Reference： [1]Patent: US2004/19190,2004,A1 .Location in patent: Page 17

8
[ 277299-70-4 ]
[ 376592-93-7 ]
[ 121-44-8 ]
eltrombopag triethylamine salt [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
76%		To a cooled at 0 to 10C mixture of 3'-Amino-2'-hydroxy-biphenyl-3-carboxylic acid (100 g) in methanol (2000 ml) was added aq. hydrochloric acid solution (150ml cone, hydrochloric acid in 150 ml water). Aq. sodium nitrite solution (31.87 g sodium nitrite in 100 ml water) was added to the reaction mixture at 0C to 10C within 15min and stirred further for lh. Triethylamine (200 ml) was added to the reaction mixture at 0C to 10C till pH 6 to 8 was obtained. 2-(3,4-dimethyl-phenyl)-5-methyl-l,2-dihydro-pyrazol-3-one (88.24 g) was added to the reaction mixture and stirred for 2h at 25C to 35C. After completion of the reaction on TLC, triethylamine (176.57g) was added to the reaction mixture and heated at 50C to 60C for 2h. The reaction mixture is distilled out under vacuum to get residue. Methanol (1000 ml) was added to the residue and heated at 50C to 60C for 30min. The reaction mixture was cooled to 25C to 35C for 2h. The suspension was filtered and obtained solid was washed with methanol (2 X 50 ml) to give wet cake. Water (1000 ml) was added to this wet cake and heated at 50C to 60C for lh. The reaction mixture is filtered, obtained solid was washed with water (2 X 50 ml) and suck dried to give wet cake. Water (1000 ml) was added to this wet cake and heated at 50C to 60C for lh. The reaction mixture was filtered, obtained solid was washed with water (2 X 50 ml) and suck dried. The solid was dried at 60C to 70C for 12- 15h to give eltrombopag triethylamine salt (180.0 g). Yield: 76.0%.Purity by HPLC: 99.6%. Eta NMR (DMSO) delta: 1.08-1.11 (9H, t), 2.19-2.33 (6H, m), 2.38 (3H,s), 2.87-2.92 (6H, q), 7.06- 7.13 (3H, t), 7.55-7.65 (2H, d), 7.74-7.89 (4H, d), 8.16-8.23(1H, d).Triethylamine content by titration: 18.5%.The XRPD of above obtained Eltrombopag triethylamine salt is given in fig 1

Reference： [1]Patent: WO2017/81014,2017,A1 .Location in patent: Page/Page column 15; 16; 18

9
[ 277299-70-4 ]
[ 376592-93-7 ]
eltrombopag olamine [ No CAS ]

Reference： [1]Patent: WO2017/81014,2017,A1

10
[ 277299-70-4 ]
[ 28165-50-6 ]
1-(3,4-dimethylphenyl)-3-methyl-4-(3-bromo-2-hydroxyphenyl)hydrazono-5-pyrazolone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
98%		200 ml of 2 mol/L hydrochloric acid was added to the reaction vessel.750ml of ethanol,50 g (0.26 mol) of 2-amino-6-bromophenol,Stir well,Cool down to 0 ~ 10 C,Slowly add sodium nitrite solution [18g (0.26mol) sodium nitrite dissolved in 50ml water],Temperature control does not exceed 10 C,Completion of the dropwise addition, the reaction at 5 ~ 10 1.5 ~ 2h,The reaction solution was allowed to rise to room temperature.Add triethylamine to adjust the pH of the reaction solution to 7-8.Further, 54 g (0.26 mol) of the compound of the formula (III) is added.The reaction was continued at 20 to 30 C for 2 hours.At the end of the reaction, the pH of the reaction solution was adjusted to 1-2 with 2 mol/L hydrochloric acid, the solid was precipitated, filtered, and the filter cake was washed with a mixture of ethanol/water (1:1), and the filter cake was dried under vacuum at 45 C.A dark red solid was obtained in 104.5 g (IV), yield 98%, and purity 99.562%.

Reference： [1]Patent: CN108191763,2018,A .Location in patent: Paragraph 0056; 0062; 0063; 0064; 0065; 0068; 0069

11
[ 277299-70-4 ]
[ 13073-25-1 ]
[ 25487-66-5 ]
Eltrombopag [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		1) Take 2-nitro-6-bromophenol 12%, potassium carbonate 5% and benzyl bromide 7% in turn, and pour into 120 ml of acetonitrile solution for reflux reaction.After the reflux reaction was heated to 90 C and the temperature was maintained at 90 C for 3 hours, the reflux was continued.The reflux apparatus was cooled to room temperature, the resulting solution was filtered and concentrated to a dry solid, and the solid was placed in a 100 ml glass dish, and 40 ml of a triethylamine liquid was added to continuously heat the glass dish.Until white crystals appear on the solid surface,The glass dish is cooled, the solid is washed and dried with water, and the above materials are reserved for use; 2) The material obtained in the step 1) is dissolved in 100 ml of ethyl acetate, washed successively with 50 ml of water and 50 ml of a saturated sodium chloride solution, and after washing, anhydrous sodium sulfate crystals are added for moisture absorption and drying. The solution is filtered and concentrated to dry crystals, and the above materials are reserved for use; 3) Take 5% potassium carbonate, 6% 3-carboxybenzeneboronic acid, 5% palladium dichloride,20 ml of dioxane and 40 ml of water were placed in a 100 ml glass dish to react with the material prepared in step 2).After heating to 50 C in the reaction state, keep the temperature at 50 C and a pressure of 1 MPa was added to the nitrogen to carry out a protective reaction for four hours.Then, the temperature is lowered, the liquid in the glass dish is filtered, and after distilling off the dioxane under reduced pressure, water and a 1 mol/L hydrochloric acid solution are added to adjust the pH.The solution was filtered to obtain a solid, and placed in a 100 ml glass dish, 80 ml of isopropanol and an aqueous solution prepared in a ratio of 3:1 were added to carry out recrystallization, and the above materials were reserved for use; 4) The material prepared in the step 3) is placed in a 350 ml solution of ethyl acetate, 2% of palladium on carbon is placed in the solution, and hydrogen is reacted for 10 hours.The solution was filtered and concentrated to dry crystals, placed in a 100 ml glass dish, 80 ml of methanol was added to recrystallize, and the above materials were reserved for use;5) Take <strong>[277299-70-4]2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one</strong> 8% in order and mix in a ratio of 1:1:2 70ml of sodium nitrate,Sodium bicarbonate and an aqueous solution are placed in a 100 ml glass dish to react with the material prepared in step 4).After the reaction is completed, 20 ml of ethanolamine is added and hydrogen is introduced to carry out the reaction to obtain Eltrombopag;

Reference： [1]Patent: CN109096195,2018,A .Location in patent: Paragraph 0021-0026; 0028-0033; 0035-0040

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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

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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. 277299-70-4 ] {[proInfo.proName]}

Quality Control of [ 277299-70-4 ]

Related Doc. of [ 277299-70-4 ]

Product Details of [ 277299-70-4 ]

Calculated chemistry of [ 277299-70-4 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 277299-70-4 ]

Application In Synthesis of [ 277299-70-4 ]

[ 277299-70-4 ] Synthesis Path-Upstream 1~2

[ 277299-70-4 ] Synthesis Path-Downstream 1~11

Related Functional Groups of [ 277299-70-4 ]

Aryls

Amides

Related Parent Nucleus of [ 277299-70-4 ]

Pyrazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 277299-70-4 ]

Related Parent Nucleus of
[ 277299-70-4 ]