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81474-46-6

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CAS No.: 81474-46-6
Name: 4-Bromo-7-methoxy-benzo[1,3]dioxole-5-carboxylic acid methyl ester
Article Data: 13
Molecular Structure:
Molecular Structure of 81474-46-6 (4-Bromo-7-methoxy-benzo[1,3]dioxole-5-carboxylic acid methyl ester)
Formula: C10H9BrO5
Molecular Weight: 289.082
Synonyms: 4-Bromo-7-methoxy-1,3-benzodioxole-5-carboxylicacidmethylester;Methyl 4-bromo-7-methoxy-benzo[1,3]dioxole-5-carboxylate ; Methyl 2-bromo-3,4-methylenedioxy-5-methoxybenzoate;2-Bromo-3,4-dioxymethylene-5-methyloxymethyl benzoate;
Density: 1.618 g/cm3
Melting Point: 106.5℃
Boiling Point: 356.325 °C at 760 mmHg
Flash Point: 169.299 °C
Appearance: White crystalline powder
PSA: 53.99000
LogP: 1.97300
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Chemistry

Systematic Name: Methyl 4-bromo-7-methoxy-1,3-benzodioxole-5-carboxylate
Synonyms of 4-Bromo-7-methoxy-benzo[1,3]dioxole-5-carboxylic acid methyl ester (CAS NO.81474-46-6): 4-Bromo-7-methoxy-1,3-benzodioxole-5-carboxylicacidmethylester ; Methyl 4-bromo-7-methoxy-benzo[1,3]dioxole-5-carboxylate ; Methyl 2-bromo-3,4-methylenedioxy-5-methoxybenzoate ; 2-Bromo-3,4-dioxymethylene-5-methyloxymethyl benzoate ; 4-Bromo-7-methoxy-benzo[1,3]dioxole-5-carboxylic acid methyl ester ; Methyl 4-bromo-7-methoxy-benzo[1,3]dioxole-5-
CAS NO: 81474-46-6
Molecular Formula: C10H9BrO5
Molecular Weight: 289.0795
Molecular Structure: 
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 53.99 Å2
Index of Refraction: 1.569
Molar Refractivity: 58.556 cm3
Molar Volume: 178.691 cm3
Surface Tension: 49.783 dyne/cm
Density: 1.618 g/cm3
Flash Point: 169.299 °C
Enthalpy of Vaporization: 60.157 kJ/mol
Boiling Point: 356.325 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Appearance: White crystalline powder 
SMILES: O=C(OC)c1cc(OC)c2OCOc2c1Br
InChI: InChI=1/C10H9BrO5/c1-13-6-3-5(10(12)14-2)7(11)9-8(6)15-4-16-9/h3H,4H2,1-2H3
InChIKey: LBTTXOWOLNELBG-UHFFFAOYAA
Std. InChI: InChI=1S/C10H9BrO5/c1-13-6-3-5(10(12)14-2)7(11)9-8(6)15-4-16-9/h3H,4H2,1-2H3
Std. InChIKey: LBTTXOWOLNELBG-UHFFFAOYSA-N

Uses

 4-Bromo-7-methoxy-benzo[1,3]dioxole-5-carboxylic acid methyl ester (CAS NO.81474-46-6) is used as DDB intermediate.

Production

 Gallic acid with methanol for esterification catalyzed by sulfuric acid to produce 3,4,5 - Trihydroxy methyl, then methylation by Dimethyl sulfate to produce 3-Methoxy-4,5-dihydroxy methyl formate, condensation with Methyl iodide in the presence of alkaline to generate 5-Methoxy-3,4-dimethyl benzoate, and finally obtained 4-Bromo-7-methoxy-benzo[1,3]dioxole-5-carboxylic acid methyl ester (CAS NO.81474-46-6) by the bromination .