Dimethyl 4-methoxyisophthalate supplier

Name
Dimethyl 4-methoxyisophthalate
EINECS 245-350-7
CAS No. 22955-73-3
Article Data23
CAS DataBase
Density 1.184g/cm3
Solubility
Melting Point 93-97 °C(lit.)
Formula C₁₁H₁₂O₅
Boiling Point 331.6 °C at 760 mmHg
Molecular Weight 224.213
Flash Point 146 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
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;
PSA 61.83000
LogP 1.26840

Synthetic route

: 67-56-1
methanol

: 13235-60-4
4-methoxy-1,3-benzenedicarbonyl dichloride

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
Ambient temperature;	92%

: 5985-24-0
dimethyl 4-hydroxyisophthalate

: 74-88-4
methyl iodide

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide; potassium carbonate In N,N-dimethyl-formamide at 80℃; for 2h;	87%

: 67-56-1
methanol

: 63113-79-1
methyl 2-methoxy-5-methylbenzoate

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
With tetradecyl(tributyl)phosphonium methanesulfonate at 20℃; for 18h; Inert atmosphere; Electrolysis; Sealed tube; Green chemistry;	71%

: 186581-53-3, 908094-01-9
diazomethane

: 2206-43-1
4-methoxyisophthalic acid

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
With diethyl ether

: 636-46-4
4-hydroxyisophthalic acid

: 77-78-1
dimethyl sulfate

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
With sodium hydroxide Erwaermen des Reaktionsprodukts mit methanol. H2SO4;

: 186581-53-3, 908094-01-9
diazomethane

: 27073-74-1, 27073-75-2
tiliacorinine dimethiodide

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
With potassium permanganate 1.) H2O, 70-80 deg C, 5 h 2.) ether; Yield given. Multistep reaction;

: 186581-53-3, 908094-01-9
diazomethane

: 81784-13-6
(1S)-1,2,2-trimethyl-1-(2-methoxy-5-methyl)phenylcyclopentane

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

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;

: 186581-53-3, 908094-01-9
diazomethane

: 636-46-4
4-hydroxyisophthalic acid

: 22955-73-3
dimethyl 4-methoxyisophthalate

: 23531-29-5
Dimethyl-2-brom-4-methoxy-isophthalat

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
With iodobenzene; copper at 202 - 208℃;

: 186581-53-3, 908094-01-9
diazomethane

: 22955-82-4
C40H40O8

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
(i) aq. KMnO4, NaOH, Py, (ii) /BRN= 102415/; Multistep reaction;

: 27073-72-9, 27073-73-0
N,N-dimethylpachyovatamine

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 370 mg / 0.5 h / Ambient temperature 2: 1.) KMnO4 / 1.) H2O, 70-80 deg C, 5 h 2.) ether View Scheme

: nortiliacorinine A

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 258 mg / formaldehyde, formic acid 2: 370 mg / 0.5 h / Ambient temperature 3: 1.) KMnO4 / 1.) H2O, 70-80 deg C, 5 h 2.) ether View Scheme

: 6738-23-4
2,4-dimethylanisole

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aqueous KMnO4 2: diethyl ether View Scheme

: 5985-24-0
dimethyl 4-hydroxyisophthalate

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: methanol; bromine; H2O 2: aqueous KOH; copper-powder 3: aqueous NaOH / Erwaermen des Reaktionsprodukts mit methanol. H2SO4 View Scheme

: 15471-26-8
2,4-bis-hydroxymethyl-1-methoxy-benzene

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aqueous KMnO4 2: diethyl ether View Scheme

: 54176-51-1
5-bromo-4-hydroxyisophthalic acid dimethyl ester

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aqueous KOH; copper-powder 2: aqueous NaOH / Erwaermen des Reaktionsprodukts mit methanol. H2SO4 View Scheme

: 2206-43-1
4-methoxyisophthalic acid

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: thionyl chloride View Scheme

: 105-67-9
2,4-Xylenol

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (i) aq. NaOH, (ii) aq. KMnO4 View Scheme

: 626-02-8
3-Iodophenol

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: NaOH 2: Ag2O, aq. NaOH 3: aq. NaOH / Raney-Ni View Scheme

: 23453-90-9
2-bromo-4-methoxy-1,3-dimethylbenzene

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: aq. KMnO4 3: Cu, PhI / 202 - 208 °C View Scheme

: 23454-14-0
4-Hydroxy-2-iod-isophthalaldehyd

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: Ag2O, aq. NaOH 2: aq. NaOH / Raney-Ni View Scheme

: 23453-86-3
2-Brom-4-hydroxy-isophthalsaeure

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: Cu, PhI / 202 - 208 °C View Scheme

: 23453-94-3
4-Hydroxy-2-iod-isophthalsaeure

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aq. NaOH / Raney-Ni View Scheme

: 23453-91-0
2-Brom-4-methoxy-isophthalsaeure

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: Cu, PhI / 202 - 208 °C View Scheme

: 2-Brom-4-hydroxy-isophthalaldehyd

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: Ag2O, aq. NaOH 3: Cu, PhI / 202 - 208 °C View Scheme

: 74571-81-6
3-bromo-2,4-dimethylphenol

: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 2: aq. KMnO4 4: Cu, PhI / 202 - 208 °C View Scheme

: 7664-93-9
sulfuric acid

: 2206-43-1
4-methoxyisophthalic acid

A: 479579-02-7
methyl 4-methoxy-3-(3-pyridinylmethylaminocarbonyl)benzoate

B: 22955-73-3
dimethyl 4-methoxyisophthalate

Conditions

Conditions	Yield
In methanol; ice-water	A 52 g (91%) B n/a

...Expand

: 22955-73-3
dimethyl 4-methoxyisophthalate

: 2206-43-1
4-methoxyisophthalic acid

Conditions

Conditions	Yield
With water; sodium hydroxide at 80℃; for 2h;	90%

: 75-97-8
3,3-dimethyl-butan-2-one

: 22955-73-3
dimethyl 4-methoxyisophthalate

: 4-methoxy-1,3-bis(4,4-dimethyl-3-oxopentanoyl)benzene

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran; hexane	66%
With hydrogenchloride In tetrahydrofuran; hexane	66%

: 22955-73-3
dimethyl 4-methoxyisophthalate

: 99843-85-3
4-methoxy-5-nitro-isophthalic acid dimethyl ester

Conditions

Conditions	Yield
With sulfuric acid; nitric acid; acetic acid

: 22955-73-3
dimethyl 4-methoxyisophthalate

: 99856-47-0
5-amino-4-methoxy-isophthalic acid dimethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetic acid; HNO3; H2SO4 2: platinum; methanol / Hydrogenation View Scheme

: 22955-73-3
dimethyl 4-methoxyisophthalate

: 98589-65-2
4-methoxy-5-nitro-isophthalic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetic acid; HNO3; H2SO4 2: Hydrolysis View Scheme

Dimethyl 4-methoxyisophthalate Specification

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

Product Name

Dimethyl 4-methoxyisophthalate

Synthetic route

Dimethyl 4-methoxyisophthalate Specification

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