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| CAS No.: | 2032-35-1 |
|---|---|
| Name: | Bromoacetaldehyde diethyl acetal |
| Article Data: | 38 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H13BrO2 |
| Molecular Weight: | 197.072 |
| Synonyms: | Bromoacetal;Bromodcetaldehyde dimethylacetal;Bromoacetaldehydediethylacetal;2-bromo-1, 1-diethoxy-ethan;BromoacetalBromoacetaldehydeDiethyacetal;Ethane, 2-bromo-1,1-diethoxy-;1-Bromo-2,2-diethoxyethane;Bromacetal;1,1-Diethoxy-2-bromoethane;2-bromo-1,1-diethoxy-ethane;2-Bromo-1,1-diethoxyethane;.alpha.-Bromoacetaldehyde diethyl acetal;Diethyl bromoacetal;Acetaldehyde, bromo-, diethyl acetal;2,2-Diethoxyethyl bromide; |
| EINECS: | 217-989-1 |
| Density: | 1.28 g/cm3 |
| Boiling Point: | 195.1 °C at 760 mmHg |
| Flash Point: | 51.7 °C |
| Solubility: | insoluble in water |
| Appearance: | colorless to light yellow liquid |
| Hazard Symbols: |
 Xi, T
|
| Risk Codes: | 10-36-36/38-23-22 |
| Safety: | 16-26-45-38-37/39-28A-36/37 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 18.46000 |
| LogP: | 1.78040 |
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| Conditions | Yield |
|---|---|
| With bromine; calcium carbonate 1.) 1 h, 10 deg C; 2.) room temp., 14 h; | 60.9% |
| With bromine; calcium carbonate | 51.8% |
| With bromine |
| Conditions | Yield |
|---|---|
| beim Umkrystallisieren; |
| Conditions | Yield |
|---|---|
| With bromine at -10℃; | |
| With bromine at 5 - 30℃; for 10h; Inert atmosphere; Large scale; | |
| With bromine at -10℃; |
| Conditions | Yield |
|---|---|
| With tetrachloromethane; bromine Eintragen des Reaktionsgemisches in Aethanol unter Kuehlung; | |
| In tetrachloromethane; ethanol; water |
- 64-17-5
ethanol
A
- 74-96-4
ethyl bromide
B
- 105-36-2
ethyl bromoacetate
C
- 2032-35-1
Bromoacetaldehyde diethyl acetal
D
- 17157-48-1
bromoacetaldehyde
- 89125-30-4
α-Chloro-β-bromoethyl ethyl ether
- 141-52-6
sodium ethanolate
- 2032-35-1
Bromoacetaldehyde diethyl acetal
| Conditions | Yield |
|---|---|
| at 0℃; |
- 89125-30-4
α-Chloro-β-bromoethyl ethyl ether
- 2032-35-1
Bromoacetaldehyde diethyl acetal
| Conditions | Yield |
|---|---|
| With sodium ethanolate at 0℃; |
| Conditions | Yield |
|---|---|
| With potassium hydroxide |
| Conditions | Yield |
|---|---|
| With tetrachloromethane; N-Bromosuccinimide Behandeln des Reaktionsprodukts mit Aethanol; |
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Specification
The Bromoacetaldehyde diethyl acetal with CAS registry number of 2032-35-1 is also known as 1,1-Diethoxy-2-bromoethane. The IUPAC name is 2-Bromo-1,1-diethoxyethane. It belongs to product categories of Pharmaceutical Intermediates; Aromatic Aldehydes & Derivatives (substituted). Its EINECS registry number is 217-989-1. In addition, the formula is C6H13BrO2 and the molecular weight is 197.07. This chemical is a colorless to light yellow liquid and should be sealed at 0-6 °C.
Physical properties about Bromoacetaldehyde diethyl acetal are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.18; (5)ACD/BCF (pH 5.5): 26.55; (6)ACD/BCF (pH 7.4): 26.55; (7)ACD/KOC (pH 5.5): 363.93; (8)ACD/KOC (pH 7.4): 363.93; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46Å2; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 41.02 cm3; (15)Molar Volume: 153.8 cm3; (16)Polarizability: 16.26×10-24cm3; (17)Surface Tension: 29.8 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 51.7 °C; (20)Enthalpy of Vaporization: 41.36 kJ/mol; (21)Boiling Point: 195.1 °C at 760 mmHg; (22)Vapour Pressure: 0.599 mmHg at 25 °C.
Preparation of Bromoacetaldehyde diethyl acetal: it is obtained by bromide, alcoholysis of vinyl acetate. Mixing vinyl acetate and ethanol at -10 °C. Slowly dropping bromine to maintain -5 °C under stirring. Gradually heated to 60 °C maintained for 1h, cooled to 10 °C, and 1 times the amount of ice water added. Add ammonia to make pH = 6 and double the amount of ice water to separate oil. Collect distillate under 71-76 °C (2.67kPa) by vacuum distillation to get the product.
Uses of Bromoacetaldehyde diethyl acetal: it is mainly used for synthesis of antibiotics such as erythromycin and cephalosporins and to other drugs. It also can be used as pharmaceutical intermediates. Besides, this chemical can be used to pruduce drugs such as methylthio imidazole, chlorpheniramine and others for thyroid.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes and skin. It's toxic by inhalation and harmful if swallowed. What's more, it's flammable. During using it, wear suitable protective clothing, gloves and eye/face protection and keep away from sources of ignition. In case of insufficient ventilation wear suitable respiratory equipment, and if you feel unwell seek medical advice immediately. When 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: BrCC(OCC)OCC
2. InChI: InChI=1/C6H13BrO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3
3. InChIKey: LILXDMFJXYAKMK-UHFFFAOYAO
4. Std. InChI: InChI=1S/C6H13BrO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3
5. Std. InChIKey: LILXDMFJXYAKMK-UHFFFAOYSA-N