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Basic Information
CAS No.: 277299-70-4
Name: 2-(3,4-Dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one
Molecular Structure:
Molecular Structure of 277299-70-4 (2-(3,4-Dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one)
Formula: C12H14N2O
Molecular Weight: 202.256
Synonyms: 1-(3,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-ol;STOCK6S-35344;ZINC09530926;
EINECS: 1592732-453-0
Density: 1.121 g/cm3
Melting Point: 121.0 to 125.0 °C
Boiling Point: 338.5±52.0 °C(Predicted)
PSA: 37.79000
LogP: 2.09080
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Synthetic route
141-97-9

ethyl acetoacetate

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3,4-dimethylphenylhydrazine hydrochloride

277299-70-4

2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one

Conditions
ConditionsYield
With sodium bicarbonate; sodium acetate In diethyl ether; acetic acid76%
With sodium acetate In acetic acid for 24h; Heating / reflux;76%
With sodium acetate; acetic acid for 24h; Reflux;76%
141-97-9

ethyl acetoacetate

13636-53-8

3,4-dimethylphenylhydrazine

277299-70-4

2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one

Conditions
ConditionsYield
In acetic acid64%
277299-70-4

2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one

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2-amino-6-bromophenol

1-(3,4-dimethylphenyl)-3-methyl-4-(3-bromo-2-hydroxyphenyl)hydrazono-5-pyrazolone

Conditions
ConditionsYield
Stage #1: 2-amino-6-bromophenol With hydrogenchloride; sodium nitrite In ethanol; water at 0 - 10℃;
Stage #2: 2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one With triethylamine In ethanol; water at 20 - 30℃; for 2h; Reagent/catalyst;		98%
277299-70-4

2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one

376591-97-8

3'-amino-2'-hydroxy-1,1'-biphenyl-3-carboxylic acid hydrochloride

376591-99-0

3’-{N’-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-di-hydropyrazol-4-ylidene]hydrazino}-2’-hydroxybiphenyl-3-carboxylic acid

Conditions
ConditionsYield
Stage #1: 3'-amino-2'-hydroxy-1,1'-biphenyl-3-carboxylic acid hydrochloride With hydrogenchloride; sodium nitrite In methanol; water for 2.5h; pH=1-2;
Stage #2: 2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one With sodium hydrogencarbonate In methanol; water at 20℃; for 12h; pH=8;
Stage #3: With hydrogenchloride In methanol; water at 0 - 20℃; for 3h; pH=1-2;		90%
277299-70-4

2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one

1571-72-8

3-amino-4-hydroxybenzoic acid

3-{[1-(3,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]azo}-4-hydroxybenzoic acid

Conditions
ConditionsYield
82%
277299-70-4

2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one

4-{[1-(3,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]azo}-3-hydroxybenzoic acid

Conditions
ConditionsYield
82%
277299-70-4

2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one

376592-93-7

3′-amino-2′-hydroxy biphenyl-3-carboxylic acid

121-44-8

triethylamine

eltrombopag triethylamine salt

Conditions
ConditionsYield
Stage #1: 3'-amino-2'-hydroxy-1,1'-biphenyl-3-carboxylic acid With hydrogenchloride; sodium nitrite In methanol; water at 0 - 10℃; for 1.25h;
Stage #2: 2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one; triethylamine at 0 - 60℃; for 4h; pH=6 - 8; pH-value;		76%
...Expand
277299-70-4

2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one

95-55-6

2-amino-phenol

eltrombopag olamine

Conditions
ConditionsYield
Stage #1: 2-amino-phenol With hydrogenchloride; sodium nitrite In methanol; water at 75 - 80℃; for 24h;
Stage #2: 2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one With triethylamine In methanol; water at 0 - 25℃; for 2.5h;		68%
277299-70-4

2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one

376591-78-5

C13H11NO3*ClH

376591-84-3

4'-{N'-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydropyrazol-4-ylidene]hydrazino}-3'-hydroxybiphenyl-4-carboxylic acid

Conditions
ConditionsYield
Stage #1: C13H11NO3*ClH With hydrogenchloride; sodium nitrite In water at 5℃; for 0.166667h;
Stage #2: 2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one With sodium hydrogencarbonate In ethanol; water at 20℃; for 24h; pH=7 - 8;		35%
277299-70-4

2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one

88-23-3

2-amino-4-chlorophenol-6-sulfonic acid

5-chloro-3-{[1-(3,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]azo}-2-hydroxybenzenesulfonic acid

Conditions
ConditionsYield
34%
Raw Materials
13636-53-8
60481-51-8
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Specification

The 2-(3,4-Dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one, with the CAS registry number 277299-70-4, is also known as 1-(3,4-Dimethylphenyl)-3-methyl-1H-pyrazol-5-ol and ZINC09530926. This chemical's molecular formula is C12H14N2O and formula weight is 202.25. What's more, its IUPAC name is called 2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one.

Physical properties of 2-(3,4-Dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one: (1)XLogP3-AA: 2.6; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 1; (5)Tautomer Count: 3; (6)Exact Mass: 202.110613; (7)MonoIsotopic Mass: 202.110613; (8)Topological Polar Surface Area: 32.3; (9)Heavy Atom Count: 15; (10)Formal Charge: 0; (11)Complexity: 298; (12)Covalently-Bonded Unit Count: 1; (13)Feature 3D Acceptor Count: 1; (14)Feature 3D Donor Count: 1; (15)Feature 3D Ring Count: 2.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C=C1)N2C(=O)C=C(N2)C)C
(2)InChI: InChI=1S/C12H14N2O/c1-8-4-5-11(6-9(8)2)14-12(15)7-10(3)13-14/h4-7,13H,1-3H3
(3)InChIKey: HBWBJCSXUJIDGN-UHFFFAOYSA-N