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CAS No.: | 22955-73-3 |
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Name: | Dimethyl 4-methoxyisophthalate |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C11H12O5 |
Molecular Weight: | 224.213 |
Synonyms: | 1,3-Benzenedicarboxylicacid, 4-methoxy-, dimethyl ester (9CI);Isophthalic acid, 4-methoxy-, dimethylester (6CI,7CI,8CI);2-Methoxy-1,5-benzenedicarboxylic acid dimethyl ester;4-Methoxy-1,3-benzenedicarboxylic acid dimethyl ester;4-Methoxyisophthalicacid dimethyl ester;Dimethyl 4-methoxyisophthalate; |
EINECS: | 245-350-7 |
Density: | 1.184g/cm3 |
Melting Point: | 93-97 °C(lit.) |
Boiling Point: | 331.6 °C at 760 mmHg |
Flash Point: | 146 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26-36 |
PSA: | 61.83000 |
LogP: | 1.26840 |
methanol
4-methoxy-1,3-benzenedicarbonyl dichloride
dimethyl 4-methoxyisophthalate
Conditions | Yield |
---|---|
Ambient temperature; | 92% |
Conditions | Yield |
---|---|
With tetra-(n-butyl)ammonium iodide; potassium carbonate In N,N-dimethyl-formamide at 80℃; for 2h; | 87% |
Conditions | Yield |
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With tetradecyl(tributyl)phosphonium methanesulfonate at 20℃; for 18h; Inert atmosphere; Electrolysis; Sealed tube; Green chemistry; | 71% |
diazomethane
4-methoxyisophthalic acid
dimethyl 4-methoxyisophthalate
Conditions | Yield |
---|---|
With diethyl ether |
Conditions | Yield |
---|---|
With sodium hydroxide Erwaermen des Reaktionsprodukts mit methanol. H2SO4; |
diazomethane
tiliacorinine dimethiodide
dimethyl 4-methoxyisophthalate
Conditions | Yield |
---|---|
With potassium permanganate 1.) H2O, 70-80 deg C, 5 h 2.) ether; Yield given. Multistep reaction; |
diazomethane
(1S)-1,2,2-trimethyl-1-(2-methoxy-5-methyl)phenylcyclopentane
dimethyl 4-methoxyisophthalate
Conditions | Yield |
---|---|
With nitric acid 1.) 17 h, 165 deg C, in a sealed tube, 2.) ether; Yield given. Multistep reaction; | |
With nitric acid Multistep reaction; |
diazomethane
4-hydroxyisophthalic acid
dimethyl 4-methoxyisophthalate
Dimethyl-2-brom-4-methoxy-isophthalat
dimethyl 4-methoxyisophthalate
Conditions | Yield |
---|---|
With iodobenzene; copper at 202 - 208℃; |
Conditions | Yield |
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(i) aq. KMnO4, NaOH, Py, (ii) /BRN= 102415/; Multistep reaction; |
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This chemical is called Dimethyl 4-methoxyisophthalate, and it can also be named as 1,3-benzenedicarboxylic acid, 4-methoxy-, dimethyl ester. With the molecular formula of C11H12O5, and its molecular weight is 224.21. In addition, its product categories are C10 to C11; Carbonyl Compounds; Esters.
Other characteristics of the Dimethyl 4-methoxyisophthalate can be summarised as followings: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 2.45; (5)ACD/BCF (pH 5.5): 43.06; (6)ACD/BCF (pH 7.4): 43.06; (7)ACD/KOC (pH 5.5): 514.34; (8)ACD/KOC (pH 7.4): 514.34; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 61.83 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 56.47 cm3; (15)Molar Volume: 189.2 cm3; (16)Polarizability: 22.38×10-24cm3; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.184 g/cm3; (19)Flash Point: 146 °C; (20)Enthalpy of Vaporization: 57.43 kJ/mol; (21)Boiling Point: 331.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000154 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: The Dimethyl 4-methoxyisophthalate is irritating to eyes, so you should wear suitable protective clothing when you use it. In case of contacting 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=C(OC)c1ccc(OC)c(C(=O)OC)c1
(2)InChI: InChI=1/C11H12O5/c1-14-9-5-4-7(10(12)15-2)6-8(9)11(13)16-3/h4-6H,1-3H3
(3)InChIKey: VYLTWLWJTAJDSS-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C11H12O5/c1-14-9-5-4-7(10(12)15-2)6-8(9)11(13)16-3/h4-6H,1-3H3
(5)Std. InChIKey: VYLTWLWJTAJDSS-UHFFFAOYSA-N