CAS No.526-86-3,2,3-dimethyl-2,5-cyclohexadiene-1,4 dione Suppliers

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Basic Information

Molecular Structure:
CAS No.:	526-86-3
Name:	2,3-dimethyl-2,5-cyclohexadiene-1,4 dione
Article Data:	98

Formula:	C₈H₈O₂
Molecular Weight:	136.15
Synonyms:	p-Benzoquinone,2,3-dimethyl- (7CI,8CI);2,3-Dimethyl-1,4-benzoquinone;2,3-Dimethyl-2,5-cyclohexadiene-1,4-dione;2,3-Dimethyl-p-benzoquinone;2,3-Dimethyl-p-quinone;2,3-Dimethylbenzoquinone;2,3-Dimethylquinone;NSC402192;o-Xyloquinone;
Density:	1.115 g/cm³
Melting Point:	55-57℃
Boiling Point:	200.3 °C at 760 mmHg
Flash Point:	70.9 °C
PSA:	34.14000
LogP:	1.03080

Synthetic route

: 608-43-5
2,3-dimethyl-1,4-dihydroxybenzene

: 526-86-3
2,3-dimethyl-1,4-benzoquinone

Conditions

Conditions	Yield
With benzyltrimethylammonium tribromide; sodium acetate In dichloromethane; water for 2h; Ambient temperature;	100%
With oxygen; Nitrogen dioxide In dichloromethane at -10℃; for 12h;	100%
With oxygen; Nitrogen dioxide In dichloromethane at -10℃; for 12h;	100%

: 38969-08-3
2,3-dibromo-5,6-dimethylcyclohexa-2,5-diene-1,4-dione

: 526-86-3
2,3-dimethyl-1,4-benzoquinone

Conditions

Conditions	Yield
With iron; acetic acid at 20℃; for 6h; Reflux;	96.3%

: 39021-83-5
3,6-dimethoxy-o-xylene

: 526-86-3
2,3-dimethyl-1,4-benzoquinone

Conditions

Conditions	Yield
With cerium(IV) ammonium nitrate; silica gel In dichloromethane for 0.25h;	93%
With ammonium cerium (IV) nitrate; silica gel In dichloromethane; water	63%
With ammonium cerium (IV) nitrate; silica gel In dichloromethane; water	1.68 g

: 526-75-0
2,3-Dimethylphenol

: 526-86-3
2,3-dimethyl-1,4-benzoquinone

Conditions

Conditions	Yield
With potassiuim nitrosodisulfonate; sodium acetate In water	75%
With potassium dihydrogenphosphate; potassium nitrososulfonate In acetone at 20℃; for 0.666667h;	65%
With potassium dihydrogenphosphate; K4(ON(SO3)2)2 In water at 5℃; for 1h;	60%

: 869163-88-2
2,3-dimethyl-cyclohex-3-ene-1,2-diol

A: 526-86-3
2,3-dimethyl-1,4-benzoquinone

B: 608-43-5
2,3-dimethyl-1,4-dihydroxybenzene

Conditions

Conditions	Yield
With silica gel; pyridinium chlorochromate In dichloromethane at 20℃; for 1h;	A n/a B 67%

: C16H18O2

: 526-86-3
2,3-dimethyl-1,4-benzoquinone

Conditions

Conditions	Yield
In toluene for 24h; retro Diels-Alder reaction; Heating;	49%

: 553-97-9
2-Methyl-1,4-benzoquinone

: 75-65-0
tert-butyl alcohol

A: 526-86-3
2,3-dimethyl-1,4-benzoquinone

B: 935-92-2
2,3,5-Trimethyl-1,4-benzoquinone

Conditions

Conditions	Yield
With iron(III)-acetylacetonate; bis-[(trifluoroacetoxy)iodo]benzene at 120℃; for 5h; Sealed tube; Green chemistry;	A 16% B 42%

...Expand

: 126494-77-7
2,3-dimethyl-N-(phenylsulfonyl)aniline

: 526-86-3
2,3-dimethyl-1,4-benzoquinone

Conditions

Conditions	Yield
With ammonium cerium(IV) nitrate In water; acetic acid for 24h; Ambient temperature;	41%

: 890898-40-5
C15H16O2

: 526-86-3
2,3-dimethyl-1,4-benzoquinone

Conditions

Conditions	Yield
In toluene for 28h; retro Diels-Alder reaction; Heating;	35%

: 526-75-0
2,3-Dimethylphenol

: 546-67-8
lead(IV) tetraacetate

: 64-19-7
acetic acid

A: 526-86-3
2,3-dimethyl-1,4-benzoquinone

B: 7218-20-4
(RS)-6-Acetoxy-5,6-dimethyl-2,4-cyclohexadien-1-on

C: 91497-83-5
6,6-diacetoxy-2,3-dimethyl-cyclohexa-2,4-dienone

...Expand

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Specification

The 2,5-Cyclohexadiene-1,4-dione,2,3-dimethyl-, with the CAS registry number 526-86-3, is also known as 2,3-Dimethyl-1,4-benzoquinone. This chemical's molecular formula is C₈H₈O₂ and molecular weight is 136.15. What's more, its systematic name is 2,3-dimethylcyclohexa-2,5-diene-1,4-dione. Its classification code is Mutation data.

Physical properties of 2,5-Cyclohexadiene-1,4-dione,2,3-dimethyl- are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.45; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 7.39; (6)ACD/BCF (pH 7.4): 7.39; (7)ACD/KOC (pH 5.5): 145.72; (8)ACD/KOC (pH 7.4): 145.72; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 36.54 cm³; (15)Molar Volume: 122 cm³; (16)Polarizability: 14.48×10^-24cm³; (17)Surface Tension: 36 dyne/cm; (18)Density: 1.115 g/cm³; (19)Flash Point: 70.9 °C; (20)Enthalpy of Vaporization: 43.65 kJ/mol; (21)Boiling Point: 200.3 °C at 760 mmHg; (22)Vapour Pressure: 0.326 mmHg at 25°C.

Preparation of 2,5-Cyclohexadiene-1,4-dione,2,3-dimethyl-: this chemical can be prepared by 2,3-dimethyl-phenol. This reaction will need reagents hydrated salcomine, O₂ and solvent dimethylformamide with the reaction time of 24 hours. The yield is about 33%.

2,5-Cyclohexadiene-1,4-dione,2,3-dimethyl- can be prepared by 2,3-dimethyl-phenol

Uses of 2,5-Cyclohexadiene-1,4-dione,2,3-dimethyl-: it can be used to produce 2,3-dibromo-5,6-dimethyl-[1,4]benzoquinone at the ambient temperature. It will need reagent bromine and solvent CHCl₃ with the reaction time of 40 hours. The yield is about 66%.

2,5-Cyclohexadiene-1,4-dione,2,3-dimethyl- can be used to produce 2,3-dibromo-5,6-dimethyl-[1,4]benzoquinone at the ambient temperature

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=O)C=CC1=O)C
(2)InChI: InChI=1S/C8H8O2/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,1-2H3
(3)InChIKey: AIACLXROWHONEE-UHFFFAOYSA-N