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Cas Database |
| Name |
2,5-Cyclohexadiene-1,4-dione,2,6-dimethoxy- |
EINECS | 208-484-7 |
| CAS No. | 530-55-2 | Density | 1.24 g/cm3 |
| PSA | 52.60000 | LogP | 0.19880 |
| Solubility | N/A | Melting Point |
253-257 °C (dec.)(lit.) |
| Formula | C8H8O4 | Boiling Point | 311.1 °C at 760 mmHg |
| Molecular Weight | 168.149 | Flash Point | 139.2 °C |
| Transport Information | N/A | Appearance | yellow powder |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Quinone,2,6-dimethoxy- (3CI);p-Benzoquinone, 2,6-dimethoxy- (6CI,7CI,8CI);2,6-Dimethoxy-1,4-benzoquinone;2,6-Dimethoxy-2,5-cyclohexadiene-1,4-dione;2,6-Dimethoxy-p-benzoquinone;2,6-Dimethoxy-p-quinone;2,6-Dimethoxyquinone;3,5-Dimethoxy-1,4-benzoquinone;3,5-Dimethoxybenzoquinone;NSC 24500;NSC 56336; |
Article Data | 153 |
2,5-Cyclohexadiene-1,4-dione,2,6-dimethoxy- Synthetic route
| Conditions | Yield |
|---|---|
| With bis-[(trifluoroacetoxy)iodo]benzene In water; acetonitrile for 0.166667h; Ambient temperature; | 100% |
| With tetrakis-[4-(diacetoxyiodo)phenyl]methane In acetonitrile at 20℃; for 0.5h; | 96% |
| With oxygen; copper dichloride In water; ethyl acetate at 70℃; for 3h; | 92% |
- 20491-92-3
2,4,6-trimethoxyphenol
- 530-55-2
2,6-dimethoxy-p-quinone
| Conditions | Yield |
|---|---|
| With μ-Oxo-I,I'-bis(trifluoroacetato-O)-I,I'-diphenyldiiodine(III) In water; acetonitrile at 0℃; for 2h; | 100% |
| With oxygen; copper dichloride In water; ethyl acetate at 70℃; for 3h; | 94% |
| Conditions | Yield |
|---|---|
| With C33H33N5O8Ru; dihydrogen peroxide In ethyl acetate at 20℃; for 12h; Schlenk technique; Green chemistry; chemoselective reaction; | 98% |
| With 2,6-dichloropyridine N-oxide; 5,10,15,20-tetraphenylporphyrinato ruthenium carbonyl; 4 A molecular sieve; hydrogen bromide In benzene at 40℃; Mechanism; other alkoxybenzenes; | 97% |
| With dihydrogen peroxide; Ru(II)(pybox-dh)(pydic) In methanol; water at 20℃; for 0.5h; | 93% |
- 15233-65-5
2,6-dimethoxy-1,4-hydroquinone
- 530-55-2
2,6-dimethoxy-p-quinone
| Conditions | Yield |
|---|---|
| With ammonium cerium (IV) nitrate; silica gel In dichloromethane; water | 98% |
| With oxygen In toluene at 25℃; under 760.051 Torr; for 1h; | 94% |
| With air; phthalocyanine[Fe(3+)]; Montmorillonite K10 In 1,4-dioxane; water at 20℃; for 6h; | 89% |
- 39667-14-6
2,6-dimethoxy-4-<(N,N-dimethylamino)methyl>phenol
- 530-55-2
2,6-dimethoxy-p-quinone
| Conditions | Yield |
|---|---|
| With potassium nitrososulfonate; PO4HNa2-PO4H2Na In chloroform | 98% |
| With disodium hydrogenphosphate; sodium dihydrogenphosphate; potassiuim nitrosodisulfonate |
- 112520-77-1
4-Butylaminomethyl-2,6-dimethoxy-phenol
- 530-55-2
2,6-dimethoxy-p-quinone
| Conditions | Yield |
|---|---|
| With potassium nitrososulfonate; PO4HNa2-PO4H2Na In chloroform | 98% |
| Conditions | Yield |
|---|---|
| With potassium nitrososulfonate In chloroform for 1h; pH 6; | 95% |
| With lead(IV) acetate | |
| With chromic acid | |
| With potassium nitrososulfonate | |
| With Galerina sp. HC1 laccase; oxygen In aq. acetate buffer at 22℃; pH=5; Enzymatic reaction; |
| Conditions | Yield |
|---|---|
| With potassium nitrososulfonate; PO4HNa2-PO4H2Na In chloroform | 95% |
- 104202-41-7
1,3-Dimethoxy-2,5-bis-methoxymethoxy-benzene
- 530-55-2
2,6-dimethoxy-p-quinone
| Conditions | Yield |
|---|---|
| With pyridine-2-carboxylic acid, Ag(II) salt In water; benzene for 0.75h; Ambient temperature; | 94% |
| Conditions | Yield |
|---|---|
| With oxygen; (pyridine)cobalt In methanol under 2585.7 Torr; Ambient temperature; | A 90% B 6 % Spectr. |
| With C38H57CoN3O2; oxygen In methanol at 0℃; Reagent/catalyst; Concentration; Temperature; Inert atmosphere; | A 75% B 19% |
| With C45H72CoN4O2; oxygen In methanol at 20℃; under 2585.81 Torr; for 16h; Reagent/catalyst; | A 67% B 25% |
2,5-Cyclohexadiene-1,4-dione,2,6-dimethoxy- Specification
The 2,5-Cyclohexadiene-1,4-dione,2,6-dimethoxy-, with CAS registry number 530-55-2, belongs to the following product categories: (1)Anthraquinones, Hydroquinones and Quinones; (2)Benzoquinones. It has the systematic name of 2,6-dimethoxycyclohexa-2,5-diene-1,4-dione. This chemical is a kind of yellow powder. And its classification code is Mutation data.
Physical properties of 2,5-Cyclohexadiene-1,4-dione,2,6-dimethoxy-: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.28; (4)ACD/LogD (pH 7.4): 0.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.01; (8)ACD/KOC (pH 7.4): 34.01; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 40.11 cm3; (15)Molar Volume: 135.5 cm3; (16)Polarizability: 15.9×10-24cm3; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 139.2 °C; (20)Enthalpy of Vaporization: 55.2 kJ/mol; (21)Boiling Point: 311.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000576 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,3,5-trimethoxy-benzene. This reaction will need reagents CrO3, glacial acetic acid.
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Uses of 2,5-Cyclohexadiene-1,4-dione,2,6-dimethoxy-: it can be used to produce 2,6-dibromo-3,5-dimethoxy-[1,4]benzoquinone. This reaction will need reagents chloroform, bromine.
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When you are using this chemical, please be cautious about it as the following:
The 2,5-Cyclohexadiene-1,4-dione,2,6-dimethoxy- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(/OC)=C\C(=O)\C=C1\OC
(2)InChI: InChI=1/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3
(3)InChIKey: OLBNOBQOQZRLMP-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3
(5)Std. InChIKey: OLBNOBQOQZRLMP-UHFFFAOYSA-N
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