[ CAS No. 28710-97-6 ] 5-Amino-2-phenyl-1,2-dihydropyrazol-3-one

Cat. No.: A145707

2D 3D

Structure of 28710-97-6 * Storage: Keep in dark place,Inert atmosphere,Room temperature

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98%	100g	$210.00	Inquiry	1-2 weeks

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* Storage: Keep in dark place,Inert atmosphere,Room temperature

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Quality Control of [ 28710-97-6 ]

COA NMR CNMR HPLC LC-MS

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Specification

Alternatived Products of [ 28710-97-6 ]

Product Details of [ 28710-97-6 ]

CAS No. :	28710-97-6	MDL No. :	MFCD00236014
Formula :	C₉H₉N₃O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	175.19	Pubchem ID :	-
Synonyms :

Calculated chemistry of [ 28710-97-6 ] Expand+

Safety of [ 28710-97-6 ]

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 [ 28710-97-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 28710-97-6 ]

[ 28710-97-6 ] Synthesis Path-Downstream 1~21

1
[ 123-91-1 ]
[ 28710-97-6 ]
[ 75-36-5 ]
[ 52473-01-5 ]

Reference： [1]Journal of the American Chemical Society,1942,vol. 64,p. 2133,2134

2
[ 674-82-8 ]
[ 28710-97-6 ]
5-methyl-1-phenyl-4H-pyrazolo[1,5-a]pyrimidine-2,7-dione [ No CAS ]

Reference： [1]Patent: US2403329,1944,

3
[ 75-44-5 ]
[ 28710-97-6 ]
N,N'-bis-(5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)-urea [ No CAS ]

Reference： [1]Patent: US2671021,1950,

4
[ 112-16-3 ]
[ 28710-97-6 ]
5-dodecanoylamino-2-phenyl-1,2-dihydro-pyrazol-3-one [ No CAS ]

Reference： [1]Nippon Shashin Gakkaishi,1951,vol. 14,p. 37,42
Chem.Abstr.,1953,p. 3155

5
[ 28710-97-6 ]
[ 110-62-3 ]
[ 102321-93-7 ]

Reference： [1]Canadian Journal of Chemistry,1959,vol. 37,p. 110,114

6
[ 28710-97-6 ]
[ 10553-78-3 ]
acetylmercapto-acetic acid-(5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-ylamide) [ No CAS ]

Reference： [1]Patent: US2611696,1947,

7
[ 28710-97-6 ]
[ 36854-57-6 ]
2-phenyl-butyric acid-(5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-ylamide) [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1950,vol. 72,p. 1536

8
[ 28710-97-6 ]
N-(1,3-diethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-acetanilide [ No CAS ]
1,3-diethyl-5-(5-amino-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylmethylene)-barbituric acid [ No CAS ]

Reference： [1]Patent: US2611696,1947,

9
[ 28710-97-6 ]
[ 854166-18-0 ]
3-nitro-4-octadecyloxy-benzoic acid-(5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-ylamide) [ No CAS ]

Reference： [1]Patent: US2694635,1951,

10
[ 28710-97-6 ]
[ 333-20-0 ]
(5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)-thiourea [ No CAS ]

Reference： [1]Journal of the Indian Chemical Society,1950,vol. 27,p. 455

11
[ 28710-97-6 ]
[ 100-34-5 ]
[ 53627-79-5 ]

Reference： [1]Journal of the American Chemical Society,1958,vol. 80,p. 421,425

12
[ 28710-97-6 ]
[ 541-41-3 ]
(5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)-carbamic acid ethyl ester [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1942,vol. 64,p. 2133,2134

13
[ 28710-97-6 ]
[ 108-24-7 ]
[ 52472-96-5 ]

Reference： [1]Journal of the American Chemical Society,1942,vol. 64,p. 2133,2134
[2]Journal of the American Chemical Society,1942,vol. 64,p. 2133,2134

14
[ 28710-97-6 ]
[ 141-97-9 ]
5-methyl-1-phenyl-4H-pyrazolo[1,5-a]pyrimidine-2,7-dione [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1959,vol. 81,p. 2448,2451

15
[ 28710-97-6 ]
[ 622-59-3 ]
5-(6-methyl-benzothiazol-2-ylamino)-2-phenyl-1,2-dihydro-pyrazol-3-one [ No CAS ]

Reference： [1]Patent: US2672417,1950,

16
[ 28710-97-6 ]
[ 100-52-7 ]
[ 101117-50-4 ]

Reference： [1]Canadian Journal of Chemistry,1959,vol. 37,p. 110,114

17
[ 28710-97-6 ]
[ 100-52-7 ]
[ 103267-13-6 ]

Reference： [1]Canadian Journal of Chemistry,1959,vol. 37,p. 110,114

18
[ 28710-97-6 ]
[ 106-49-0 ]
5-(4-methyl-anilino)-2-phenyl-1,2-dihydro-pyrazol-3-one [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1954,vol. 76,p. 3993

19
[ 28710-97-6 ]
[ 98-88-4 ]
[ 52473-03-7 ]

Reference： [1]Nippon Shashin Gakkaishi,1951,vol. 14,p. 37,42
Chem.Abstr.,1953,p. 3155
[2]Journal of the American Chemical Society,1942,vol. 64,p. 2133,2134

20
[ 28710-97-6 ]
[ 103-71-9 ]
N-(5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)-N'-phenyl-urea [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1942,vol. 64,p. 2133,2134

21
[ 28710-97-6 ]
[ 103-72-0 ]
1-(5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)-3-phenyl-thiourea [ No CAS ]

Reference： [1]Patent: US2672417,1950,

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Isomers

Technical Information

• Appel Reaction • Baeyer-Villiger Oxidation • Barbier Coupling Reaction • Baylis-Hillman Reaction • Bucherer-Bergs Reaction • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chan-Lam Coupling Reaction • Chugaev Reaction • Clemmensen Reduction • Corey-Bakshi-Shibata (CBS) Reduction • Corey-Chaykovsky Reaction • Corey-Kim Oxidation • Dess-Martin Oxidation • Fischer Indole Synthesis • Grignard Reaction • Henry Nitroaldol Reaction • Horner-Wadsworth-Emmons Reaction • Hydride Reductions • Jones Oxidation • Lawesson's Reagent • Leuckart-Wallach Reaction • Mannich Reaction • Martin's Sulfurane Dehydrating Reagent • McMurry Coupling • Meerwein-Ponndorf-Verley Reduction • Mitsunobu Reaction • Moffatt Oxidation • Oxidation of Alcohols by DMSO • Passerini Reaction • Paternò-Büchi Reaction • Petasis Reaction • Peterson Olefination • Pictet-Spengler Tetrahydroisoquinoline Synthesis • Preparation of Alcohols • Preparation of Aldehydes and Ketones • Preparation of Amines • Prins Reaction • Reactions of Alcohols • Reactions of Aldehydes and Ketones • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions with Organometallic Reagents • Reformatsky Reaction • Ritter Reaction • Robinson Annulation • Schlosser Modification of the Wittig Reaction • Schmidt Reaction • Sharpless Olefin Synthesis • Specialized Acylation Reagents-Ketenes • Specialized Acylation Reagents-Vilsmeier Reagent • Stobbe Condensation • Swern Oxidation • Tebbe Olefination • Ugi Reaction • Wittig Reaction • Wolff-Kishner Reduction

Historical Records

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[ 28710-97-6 ]

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Code	Phrase
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P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
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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:
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Num. heavy atoms :	13
Num. arom. heavy atoms :	11
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	2.0
Molar Refractivity :	50.79
TPSA :	63.81 Å²

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.66 cm/s

Log Po/w (iLOGP) :	1.42
Log Po/w (XLOGP3) :	1.0
Log Po/w (WLOGP) :	0.76
Log Po/w (MLOGP) :	1.4
Log Po/w (SILICOS-IT) :	0.92
Consensus Log Po/w :	1.1

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

Log S (ESOL) :	-2.12
Solubility :	1.34 mg/ml ; 0.00765 mol/l
Class :	Soluble
Log S (Ali) :	-1.93
Solubility :	2.06 mg/ml ; 0.0118 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.47
Solubility :	0.591 mg/ml ; 0.00337 mol/l
Class :	Soluble

[ CAS No. 28710-97-6 ] 5-Amino-2-phenyl-1,2-dihydropyrazol-3-one

Quality Control of [ 28710-97-6 ]

Related Doc. of [ 28710-97-6 ]

Product Details of [ 28710-97-6 ]

Calculated chemistry of [ 28710-97-6 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 28710-97-6 ]

Application In Synthesis of [ 28710-97-6 ]

[ 28710-97-6 ] Synthesis Path-Downstream 1~21

Technical Information