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Bromoacetaldehyde diethyl acetal

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Name

Bromoacetaldehyde diethyl acetal

EINECS 217-989-1
CAS No. 2032-35-1 Density 1.28 g/cm3
PSA 18.46000 LogP 1.78040
Solubility insoluble in water Melting Point N/A
Formula C6H13BrO2 Boiling Point 195.1 °C at 760 mmHg
Molecular Weight 197.072 Flash Point 51.7 °C
Transport Information UN 1993 3/PG 3 Appearance colorless to light yellow liquid
Safety 16-26-45-38-37/39-28A-36/37 Risk Codes 10-36-36/38-23-22
Molecular Structure Molecular Structure of 2032-35-1 (Bromoacetaldehyde diethyl acetal) Hazard Symbols IrritantXi,ToxicT
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;

Article Data 38

Bromoacetaldehyde diethyl acetal Synthetic route

105-57-7

diethyl acetal

2032-35-1

Bromoacetaldehyde diethyl acetal

Conditions
ConditionsYield
With bromine; calcium carbonate 1.) 1 h, 10 deg C; 2.) room temp., 14 h;60.9%
With bromine; calcium carbonate51.8%
With bromine

2,4-bis-bromomethyl-6-methyl-[1,3,5]trioxane

64-17-5

ethanol

2032-35-1

Bromoacetaldehyde diethyl acetal

Conditions
ConditionsYield
beim Umkrystallisieren;
108-05-4

vinyl acetate

64-17-5

ethanol

2032-35-1

Bromoacetaldehyde diethyl acetal

Conditions
ConditionsYield
With bromine at -10℃;
With bromine at 5 - 30℃; for 10h; Inert atmosphere; Large scale;
With bromine at -10℃;
108-05-4

vinyl acetate

2032-35-1

Bromoacetaldehyde diethyl acetal

Conditions
ConditionsYield
With tetrachloromethane; bromine Eintragen des Reaktionsgemisches in Aethanol unter Kuehlung;
In tetrachloromethane; ethanol; water
64-17-5

ethanol

2,2,3,4-tetrabromo-butyraldehyde

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
ConditionsYield
at 0℃;
89125-30-4

α-Chloro-β-bromoethyl ethyl ether

2032-35-1

Bromoacetaldehyde diethyl acetal

Conditions
ConditionsYield
With sodium ethanolate at 0℃;
2983-26-8

1,2-dibromoethyl ethyl ether

141-52-6

sodium ethanolate

2032-35-1

Bromoacetaldehyde diethyl acetal

2983-26-8

1,2-dibromoethyl ethyl ether

2032-35-1

Bromoacetaldehyde diethyl acetal

Conditions
ConditionsYield
With potassium hydroxide
109-92-2

ethyl vinyl ether

2032-35-1

Bromoacetaldehyde diethyl acetal

Conditions
ConditionsYield
With tetrachloromethane; N-Bromosuccinimide Behandeln des Reaktionsprodukts mit Aethanol;

Bromoacetaldehyde diethyl acetal 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.

Bromoacetaldehyde diethyl acetal is obtained by bromide, alcoholysis by vinyl acetate.

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

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