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CAS No.: | 2635-13-4 |
---|---|
Name: | 4-Bromo-1,2-(methylenedioxy)benzene |
Article Data: | 44 |
Molecular Structure: | |
Formula: | C7H5BrO2 |
Molecular Weight: | 201.019 |
Synonyms: | Benzene,4-bromo-1,2-(methylenedioxy)- (6CI,7CI,8CI);1-Bromo-3,4-(methylenedioxy)benzene;3,4-Methylenedioxybromobenzene;3,4-Methylenedioxyphenyl bromide;5-Bromo-1,3-benzodioxolane;5-Bromo-1,3-benzodioxole;Benzodioxol-5-yl bromide; |
EINECS: | 220-123-5 |
Density: | 1.721 g/cm3 |
Boiling Point: | 268.6 °C at 760 mmHg |
Flash Point: | 107.5 °C |
Appearance: | clear yellow-orange liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-37/39 |
PSA: | 18.46000 |
LogP: | 2.17780 |
Conditions | Yield |
---|---|
With ammonium cerium(IV) nitrate; lithium bromide In acetonitrile at 20℃; for 2h; | 99% |
With N-Bromosuccinimide; methyl bis[4-(trifluoromethyl)phenyl]selenonium tetrafluoroborate In 1,2-dichloro-ethane at 23℃; for 48h; Inert atmosphere; Darkness; | 99% |
With N-Bromosuccinimide; (Z)-N-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethyliminio)pyridine-1(4H)-carbimidothioate In dichloromethane at 25℃; for 36h; Darkness; regioselective reaction; | 98% |
1,3-dihydroisobenzofuran-5-yl trifluoromethanesulfonate
1,2-(methylenedioxy)-4-bromobenzene
Conditions | Yield |
---|---|
With [Cp*Ru(CH3CN)3]OTf; lithium bromide at 100℃; for 12h; Inert atmosphere; | 94% |
With potassium fluoride; tris-(dibenzylideneacetone)dipalladium(0); t-BuBrettPhos; potassium bromide In 1,4-dioxane at 130℃; for 16h; Inert atmosphere; | 83% |
Conditions | Yield |
---|---|
In acetonitrile at 20℃; for 0.25h; Flow reactor; UV-irradiation; | 79% |
1,2-(methylenedioxy)-4-bromobenzene
Conditions | Yield |
---|---|
With acetic acid; lithium bromide In dimethyl sulfoxide at 100℃; for 8h; Schlenk technique; | 75% |
7-bromo-1-oxaspiro<2.5>octa-5,7-dien-4-one
1,2-(methylenedioxy)-4-bromobenzene
Conditions | Yield |
---|---|
With tert-butyldimethylsilyl chloride In tetrachloromethane at 70℃; for 4.5h; | 70% |
N-Bromosuccinimide
Methylenedioxybenzene
chloroform
1,2-(methylenedioxy)-4-bromobenzene
7-bromo-1-oxaspiro<2.5>octa-5,7-dien-4-one
A
1,2-(methylenedioxy)-4-bromobenzene
Conditions | Yield |
---|---|
With chloro-trimethyl-silane In toluene Ambient temperature; |
Conditions | Yield |
---|---|
With sulfuric acid; sodium nitrite at 0℃; Diazotization.Zersetzen des Diazoniumsalzes mit einer waessr. Loesung von Kaliumbromid, Natriumhypophosphit und Kupfersulfat; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 60 percent / NaIO4 2: 70 percent / TBDMSCl / CCl4 / 4.5 h / 70 °C View Scheme | |
Multi-step reaction with 2 steps 1: 60 percent / NaIO4 2: TMSCl / toluene / Ambient temperature View Scheme |
Methylenedioxybenzene
A
1,2-(methylenedioxy)-4-bromobenzene
B
5,6-dibromo-1,3-benzodioxole
Conditions | Yield |
---|---|
With N-Bromosuccinimide; chloro-trimethyl-silane In acetonitrile at 20℃; for 1h; Overall yield = 181 mg; regioselective reaction; |
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The Molecular Structure of 1,3-Benzodioxole, 5-bromo- (CAS NO.2635-13-4):
Empirical Formula: C7H5BrO2
Molecular Weight: 201.0174
IUPAC Name: 5-bromo-1,3-benzodioxole
Appearance: clear yellow-orange liquid
Nominal Mass: 200 Da
Average Mass: 201.0174 Da
Monoisotopic Mass: 199.947284 Da
Index of Refraction: 1.602
Molar Refractivity: 40.1 cm3
Molar Volume: 116.7 cm3
Surface Tension: 51.6 dyne/cm
Density: 1.721 g/cm3
Flash Point: 107.5 °C
Enthalpy of Vaporization: 48.63 kJ/mol
Boiling Point: 268.6 °C at 760 mmHg
Vapour Pressure: 0.0126 mmHg at 25°C
InChI
InChI=1/C7H5BrO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2
Smiles
c12cc(Br)ccc1OCO2
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives; Miscellaneous; Bromine Compounds; Miscellaneous Compounds
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36: Wear suitable protective clothing
S37/39: Wear suitable gloves and eye/face protection
WGK Germany: 3
Hazard Note: Irritant
1,3-Benzodioxole, 5-bromo- (CAS NO.2635-13-4) is also called as 4-Bromomethylenedioxybenzene ; 1,2-Methylenedioxy-4-bromobenzene ; 1-Bromo-3,4-(methylenedioxy)benzene ; 3,4-Methylenedioxybromobenzene ; 3,4-Methylendioxybromobenzene ; 4-Bromo-1,2-methylenedioxybenzene . 1,3-Benzodioxole, 5-bromo- (CAS NO.2635-13-4) is used as intermediates of daily chemical products.