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Cas Database |
| Name |
Methyl 3,4-dimethoxybenzoate |
EINECS | 218-424-1 |
| CAS No. | 2150-38-1 | Density | 1.119 g/cm3 |
| PSA | 44.76000 | LogP | 1.49040 |
| Solubility | N/A | Melting Point |
58-62 °C |
| Formula | C10H12O4 | Boiling Point | 284.1 °C at 760 mmHg |
| Molecular Weight | 196.203 | Flash Point | 122.2 °C |
| Transport Information | N/A | Appearance | Brown granular powder |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Veratricacid, methyl ester (6CI,7CI,8CI);3,4-Dimethoxybenzoic acid methyl ester;Methyl veratrate;NSC 15668; |
Article Data | 121 |
Methyl 3,4-dimethoxybenzoate Synthetic route
| Conditions | Yield |
|---|---|
| With sulfuric acid for 4h; Reflux; | 100% |
| With 1,3,5-trichloro-2,4,6-triazine; sodium carbonate at 50℃; for 0.166667h; Sonication; | 99% |
| With sulfuric acid | 98% |
| Conditions | Yield |
|---|---|
| With iron(III) trifluoromethanesulfonate at 90℃; Schlenk technique; | 98% |
| Conditions | Yield |
|---|---|
| With perchloric acid; sodium percarbonate; vanadia for 0.45h; Cooling; | 97% |
| With 2,2':6,2''-terpyridine; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium acetate; sodium hydroxide at 90℃; for 6h; Reagent/catalyst; Green chemistry; chemoselective reaction; | 95% |
| With [bis(acetoxy)iodo]benzene; sodium bromide at 20℃; for 2h; | 93% |
| Conditions | Yield |
|---|---|
| With trichloro(2,2':6',2''-terpyridine)rhodium(III); sodium hydrogencarbonate at 90℃; for 18h; Green chemistry; chemoselective reaction; | 96% |
| Stage #1: methanol With sodium tetrachloroaurate(III) dihyrate; potassium carbonate at 20℃; for 0.0166667h; Green chemistry; Stage #2: (3,4-dimethoxyphenyl)methanol at 20℃; for 0.0333333h; Green chemistry; Stage #3: With oxygen at 80℃; under 760.051 Torr; Autoclave; Green chemistry; | 92% |
| With Au#Co; oxygen; potassium carbonate at 80℃; under 750.075 Torr; for 12h; Autoclave; | 92% |
| Conditions | Yield |
|---|---|
| In diethyl ether Ambient temperature; | 95% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone at 60℃; for 4.5h; Sealed tube; | 95% |
- 25563-13-7
3,4-dimethoxy-N-methoxybenzamide
- 2150-38-1
methyl 3,4-dimethoxybenzoate
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide In toluene at 20℃; for 3h; Reagent/catalyst; Solvent; Time; Temperature; | 94% |
| With 3-chloro-benzenecarboperoxoic acid; copper(ll) bromide In 1,4-dioxane at 70℃; for 3h; Catalytic behavior; Solvent; Reagent/catalyst; Temperature; | 90% |
- 2150-43-8
3,4-dihydroxybenzoic acid methyl ester
- 74-88-4
methyl iodide
- 2150-38-1
methyl 3,4-dimethoxybenzoate
| Conditions | Yield |
|---|---|
| With caesium carbonate In acetonitrile at 65℃; for 16h; Sealed tube; Inert atmosphere; | 91% |
- 67-56-1
methanol
- 201230-82-2
carbon monoxide
- 365564-10-9
2-(3,4-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- 2150-38-1
methyl 3,4-dimethoxybenzoate
| Conditions | Yield |
|---|---|
| With palladium diacetate; triphenylphosphine; p-benzoquinone at 20℃; under 760.051 Torr; for 18h; | 89% |
- 616-38-6
carbonic acid dimethyl ester
A
- 91-16-7
1,2-dimethoxybenzene
B
- 2150-38-1
methyl 3,4-dimethoxybenzoate
| Conditions | Yield |
|---|---|
| With caesium carbonate at 180℃; for 8h; | A 88% B 16% |
Methyl 3,4-dimethoxybenzoate Specification
The Methyl 3,4-dimethoxybenzoate, with the cas registry number 2150-38-1, is a kind of brown granular powder. And its product categories are including Aromatic Esters; Organic acids. As to its usage, it is usually used in organic synthesis. While using this chemical, avoid contacting with skin and eyes. In addition, you should keep it in a dry, cool and well-ventilated place, with the container closed.
The characteristics of this chemical are as follows: (1)ACD/LogP: 2.06; (2)ACD/LogD (pH 5.5): 2.06; (3)ACD/LogD (pH 7.4): 2.06 ; (4)#H bond acceptors: 4; (5)#H bond donors: 0; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 44.76; (8)Index of Refraction: 1.497; (9)Molar Refractivity: 51.38 cm3; (10)Molar Volume: 175.3 cm3; (11)Polarizability: 20.36 ×10-24 cm3; (12)Surface Tension: 34.6 dyne/cm; (13)Density: 1.119 g/cm3; (14)Flash Point: 122.2 °C; (15)Enthalpy of Vaporization: 52.3 kJ/mol; (16)Boiling Point: 284.1 °C at 760 mmHg; (17)Vapour Pressure: 0.00304 mmHg at 25°C; (18)Exact Mass: 196.073559; (19)MonoIsotopic Mass: 196.073559; (20)Topological Polar Surface Area: 44.8; (21)Heavy Atom Count: 14; (22)Formal Charge: 0; (23)Complexity: 193.
Production method of Methyl 3,4-dimethoxybenzoate is as below: 3,4-dimethoxy-benzoic acid could react with methanol to produce 3,4-dimethoxy-benzoic acid methyl ester, with the following condition: reagent: hydrogen chloride.
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Use of Methyl 3,4-dimethoxybenzoate: Methyl 3,4-dimethoxybenzoate could react to produce 4,5-dimethoxy-2-nitro-benzoic acid methyl ester, with the following condition: reagent: nitric acid.
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In addition, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: COC1=C(C=C(C=C1)C(=O)OC)OC
(2)InChI: InChI=1S/C10H12O4/c1-12-8-5-4-7(10(11)14-3)6-9(8)13-2/h4-6H,1-3H3
(3)InChIKey: BIGQPYZPEWAPBG-UHFFFAOYSA-N
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