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CAS No.: | 3469-26-9 |
---|---|
Name: | 2,7-Dimethoxynaphthalene |
Article Data: | 39 |
Molecular Structure: | |
Formula: | C12H12O2 |
Molecular Weight: | 188.226 |
Synonyms: | NSC 28991;Naphthalene, 2,7-dimethoxy-; |
EINECS: | 222-433-6 |
Density: | 1.097 g/cm3 |
Melting Point: | 137-139 °C(lit.) |
Boiling Point: | 311.2 °C at 760 mmHg |
Flash Point: | 130.3 °C |
Appearance: | off-white to brown crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 18.46000 |
LogP: | 2.85700 |
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 10h; Reflux; | 98.3% |
With sodium hydroxide | 97% |
With sodium hydroxide for 2h; | 96.5% |
2,7-Dimethoxynaphthalene
Conditions | Yield |
---|---|
With 9-N-methylamino-1-oxophenalene; potassium tert-butylate; potassium In 1,4-dioxane; dimethyl sulfoxide at 20℃; for 24h; Inert atmosphere; Glovebox; | 93% |
methanol
2,7-Dihydroxynaphthalene
A
2,7-Dimethoxynaphthalene
B
7-methoxy-2-naphthol
Conditions | Yield |
---|---|
With hydrogenchloride for 72h; Ambient temperature; | A n/a B 71% |
Conditions | Yield |
---|---|
With potassium hydroxide In dimethyl sulfoxide at 20℃; for 24h; | 68% |
With methanol; potassium carbonate | |
With potassium carbonate In N,N-dimethyl-formamide at 50 - 60℃; under 46 Torr; |
1-acetyl-2,6-dimethoxynaphthalene
2,7-Dimethoxynaphthalene
Conditions | Yield |
---|---|
With sulfuric acid at 20℃; for 0.666667h; | 68% |
1-acetyl-2,6-dimethoxynaphthalene
A
2,7-Dimethoxynaphthalene
B
3-methyl-4,9-dimethoxyphenalenone
C
2-acetyl-3,6-dimethoxynaphthalene
Conditions | Yield |
---|---|
With PPA at 45℃; for 3.5h; | A 18% B 4% C 59% |
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide Kinetics; Electrolysis; |
Conditions | Yield |
---|---|
potassium carbonate; dimethyl sulfate In water; acetone |
Conditions | Yield |
---|---|
With dimethyl sulfate In water; acetone |
Conditions | Yield |
---|---|
With potassium carbonate |
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This product is an organic compound with the formula C12H12O2. The systematic name of this chemical is 2,7-Dimethoxynaphthalene. It belongs to the product categories of Fine Chemical & Intermediates; Naphthalene derivatives; API intermediates; Ethers; Organic Building Blocks; Oxygen Compounds. Its EINECS number is 222-433-6. With the CAS registry number 3469-26-9, it is also named as Naphthalene,2,7-dimethoxy-. In addition, the molecular weight is 188.22. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from light. It is used as a pharmaceutical intermediate.
Physical properties of 2,7-Dimethoxynaphthalene are: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.28; (4)ACD/LogD (pH 7.4): 3.28; (5)ACD/BCF (pH 5.5): 183.06; (6)ACD/BCF (pH 7.4): 183.06; (7)ACD/KOC (pH 5.5): 1449.33; (8)ACD/KOC (pH 7.4): 1449.33; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 57.45 cm3; (15)Molar Volume: 171.5 cm3; (16)Polarizability: 22.77×10-24cm3; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.097 g/cm3; (19)Flash Point: 130.3 °C; (20)Enthalpy of Vaporization: 53.01 kJ/mol; (21)Boiling Point: 311.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00105 mmHg at 25°C.
Preparation of 2,7-Dimethoxynaphthalene: this chemical can be prepared by 1-acetyl-2,6-dimethoxynaphthalene at the temperature of 20 °C. This reaction will need reagent conc. H2SO4 with the reaction time of 45 min. The yield is about 68%.
Uses of 2,7-Dimethoxynaphthalene: it can be used to produce 1-(3,6-dimethoxy-[2]naphthyl)-ethanone at the temperature of 45 °C. It will need reagent polyphosphoric acid with the reaction time of 8 hours. The yield is about 62%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc2c(cc1)ccc(OC)c2)C
(2)Std. InChI: InChI=1S/C12H12O2/c1-13-11-5-3-9-4-6-12(14-2)8-10(9)7-11/h3-8H,1-2H3
(3)Std. InChIKey: PPKHAIRFQKFMLE-UHFFFAOYSA-N