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CAS No.: | 34421-94-8 |
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Name: | 4-BROMOBENZALDEHYDE DIETHYL ACETAL |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C11H15BrO2 |
Molecular Weight: | 259.143 |
Synonyms: | Benzaldehyde,p-bromo-, diethyl acetal (8CI);1-Bromo-4-(diethoxymethyl)benzene;p-Bromobenzaldehyde diethyl acetal; |
EINECS: | -0 |
Density: | 1.287 g/cm3 |
Boiling Point: | 276.2 °C at 760 mmHg |
Flash Point: | 104.4 °C |
Appearance: | Clear colorless to pale yellowish liquid |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 24/25-37/39-26 |
PSA: | 18.46000 |
LogP: | 3.52070 |
Conditions | Yield |
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With Eosin Y In acetonitrile at 20℃; for 12h; Schlenk technique; Inert atmosphere; Irradiation; chemoselective reaction; | 99% |
With CoCl2 for 1.1h; Heating; | 91% |
With thiourea-containing isoreticular metal-organic framework-3 In neat (no solvent) at 20℃; for 12h; | 91% |
4-bromo-benzaldehyde
orthoformic acid triethyl ester
4-bromobenzaldehyde diethyl acetal
Conditions | Yield |
---|---|
With hydrogenchloride In ethanol; water for 4h; Reflux; | 98% |
With hydrogenchloride In ethanol; water for 4h; Inert atmosphere; Schlenk technique; Reflux; | 98% |
With hydrogenchloride In ethanol for 4h; Reflux; Inert atmosphere; Schlenk technique; | 98% |
ethanol
4-bromo-benzaldehyde
orthoformic acid triethyl ester
4-bromobenzaldehyde diethyl acetal
Conditions | Yield |
---|---|
With povidone-iodine at 30℃; for 3h; Green chemistry; | 97.8% |
(4-bromophenyl)magnesium bromide
orthoformic acid triethyl ester
4-bromobenzaldehyde diethyl acetal
orthoformic acid triethyl ester
4-bromobenzaldehyde diethyl acetal
Conditions | Yield |
---|---|
With benzene |
benzenesulfonamide
4-bromobenzaldehyde diethyl acetal
N-(phenylsulfonyl)-p-bromobenzaldehyde imine
Conditions | Yield |
---|---|
at 160 - 170℃; Inert atmosphere; | 99% |
4-bromobenzaldehyde diethyl acetal
malononitrile
4-bromobenzylidenemalononitrile
Conditions | Yield |
---|---|
With PS-perazine; PS-N-SO3 In ethyl acetate at 50℃; for 3h; | 97% |
With 5,10,15,20-Tetrakis[4-(2H-tetrazol-5-yl)phenyl]porphyrin-Fe(III) catalyst (PCN-527-Fe) Knoevenagel Condensation; |
4-bromobenzaldehyde diethyl acetal
Ethyl 4-bromobenzoate
Conditions | Yield |
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With N-hydroxyphthalimide; oxygen; cobalt(II) acetate In acetonitrile at 20℃; under 760 Torr; for 8h; | 94% |
Multi-step reaction with 2 steps 1.1: triethylsilyl trifluoromethyl sulfonate / tetrahydrofuran / 0.5 h / 0 °C / Inert atmosphere 2.1: sodium hexamethyldisilazane; triethylamine / tetrahydrofuran / 0.5 h / -78 °C / Inert atmosphere 2.2: 1 h View Scheme |
4-bromobenzaldehyde diethyl acetal
ethyl 2-cyanoacetate
(E)-ethyl 3-(4-bromophenyl)-2-cyanoacrylate
Conditions | Yield |
---|---|
With PS-perazine; PS-N-SO3 In ethyl acetate at 50℃; for 3h; | 93% |
Conditions | Yield |
---|---|
at 170℃; for 0.166667h; | 92% |
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The Benzene,1-bromo-4-(diethoxymethyl)-, with CAS registry number 34421-94-8, belongs to the following product categories: (1)Adehydes, Acetals & Ketones; (2)Bromine Compounds; (3)Acetals/Ketals/Ortho Esters; (4)Organic Building Blocks; (5)Oxygen Compounds. It has the systematic name of 1-bromo-4-(diethoxymethyl)benzene. This chemical is a kind of cear colorless to pale yellowish liquid. And it should be stored in cool, dry place.
Physical properties of Benzene,1-bromo-4-(diethoxymethyl)-: (1)ACD/LogP: 4.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.516; (8)Molar Refractivity: 60.88 cm3; (9)Molar Volume: 201.4 cm3; (10)Polarizability: 24.13×10-24cm3; (11)Surface Tension: 35.5 dyne/cm; (12)Enthalpy of Vaporization: 49.4 kJ/mol; (13)Vapour Pressure: 0.00819 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-bromo-benzaldehyde and ethanol. The yield is about 84%.
When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-4-(diethoxymethyl)- irritates to eyes, respiratory system and skin. And this chemical is harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)C(OCC)OCC
(2)InChI: InChI=1/C11H15BrO2/c1-3-13-11(14-4-2)9-5-7-10(12)8-6-9/h5-8,11H,3-4H2,1-2H3
(3)InChIKey: BFSNEBVTOODGHZ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H15BrO2/c1-3-13-11(14-4-2)9-5-7-10(12)8-6-9/h5-8,11H,3-4H2,1-2H3
(5)Std. InChIKey: BFSNEBVTOODGHZ-UHFFFAOYSA-N