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Cas Database |
| Name |
1-Bromododecane |
EINECS | 205-587-9 |
| CAS No. | 143-15-7 | Density | 1.039 g/cm3 |
| PSA | 0.00000 | LogP | 5.30220 |
| Solubility | insoluble in water | Melting Point |
-11 - -9 °C(lit.) |
| Formula | C12H25Br | Boiling Point | 276.2 °C at 760 mmHg |
| Molecular Weight | 249.234 | Flash Point | 113 °C |
| Transport Information | N/A | Appearance | Colorless transparent liquid |
| Safety | 26-36-24/25 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Dodecane, 1-bromo-;Lauryl bromide;1-Bromo-dodecane; |
Article Data | 43 |
1-Bromododecane Synthetic route
- 121734-15-4
dodecyl benzenesulphonate
- 143-15-7
1-dodecylbromide
| Conditions | Yield |
|---|---|
| With lithium bromide In tetrahydrofuran for 0.5h; Inert atmosphere; Reflux; | 98% |
| Conditions | Yield |
|---|---|
| With allyl bromide; 1,1'-carbonyldiimidazole In acetonitrile for 2h; Heating; | 97% |
| With hydrogen bromide; 1-dodecylpyridinium bromide for 1.5h; Irradiation; | 91% |
| Stage #1: 1-dodecyl alcohol With copper(l) chloride; diisopropyl-carbodiimide at 20℃; for 0.5h; Stage #2: With N-Bromosuccinimide In 1,2-dichloro-ethane at 80℃; for 4.5h; | 90% |
| Conditions | Yield |
|---|---|
| With 2,2,4-trimethylpentane; tetradecafluorohexane; bromine at 20℃; for 2h; Irradiation; | 96% |
| With pyridine; bromine; dichloroaluminum hydride; triethyl borane 1) ether, RT, 2) -78 deg C, 1 h; Yield given. Multistep reaction; |
- 51323-71-8
dodecyl mesylate
- 143-15-7
1-dodecylbromide
| Conditions | Yield |
|---|---|
| With lithium bromide In tetrahydrofuran for 0.5h; Inert atmosphere; Reflux; | 95% |
| With lithium bromide In acetone for 12h; Heating; | |
| With sodium bromide |
| Conditions | Yield |
|---|---|
| With hexane; bromine at 20℃; for 2h; Irradiation; | A 10% B 90% |
| With hexane; tetradecafluorohexane; bromine at 20℃; for 2h; Irradiation; | A 68% B 32% |
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide; triphenylphosphine In dichloromethane at 20℃; for 13h; | 80% |
| Conditions | Yield |
|---|---|
| With diphenylcyclopropenone; sodium bromide In acetone at 40℃; for 13h; | A n/a B 78% |
| Conditions | Yield |
|---|---|
| With bis(cyclopentadienyl)titanium dichloride; triethylaluminum; 1,2-dibromomethane In hexane at 20℃; for 24h; Solvent; | A 77% B 22% |
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide In tetrahydrofuran for 16h; Ambient temperature; Irradiation; | A n/a B 65% |
| Conditions | Yield |
|---|---|
| Stage #1: dodecane With IrH5(P-(i-Pr)3)2; tert-butylethylene at 150℃; for 6h; Inert atmosphere; Stage #2: With Schwartz's reagent In tetrahydrofuran at 40℃; for 12h; Inert atmosphere; Stage #3: With N-Bromosuccinimide In tetrahydrofuran at 25℃; for 1h; Inert atmosphere; regioselective reaction; | 57% |
1-Bromododecane Specification
The IUPAC name of this chemical is 1-Bromododecane. With the CAS registry number 143-15-7 and EINECS registry number 205-587-9, it is also named as dodecane, 1-bromo-. In addition, the molecular formula is C12H25Br. It is a kind of colorless to light yellow liquid and incompatible with strong oxidizing agents and strong bases. And it is mainly used in organic synthesis.
Physical properties about this chemical are: (1)ACD/LogP: 6.99; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.99; (4)ACD/LogD (pH 7.4): 6.99; (5)ACD/BCF (pH 5.5): 121511.97; (6)ACD/BCF (pH 7.4): 121511.97; (7)ACD/KOC (pH 5.5): 151756.92; (8)ACD/KOC (pH 7.4): 151756.92; (9)Index of Refraction: 1.457; (10)Molar Refractivity: 65.37 cm3; (11)Molar Volume: 239.7 cm3; (12)Polarizability: 25.91 ×10-24cm3; (13)Surface Tension: 30.1 dyne/cm; (14)Density: 1.039 g/cm3; (15)Flash Point: 113 °C; (16)Enthalpy of Vaporization: 49.4 kJ/mol; (17)Boiling Point: 276.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00817 mmHg at 25°C.
Preparation of 1-Bromododecane: it can be prepared by dodecan-1-ol. Add the dodecan-1-ol into the reactor at first. Then add sulfuric acid slowly in the reactor with stirring for 1 hour. Next, add hydrogen bromide into the mixture. The reaction should react for 8 hours at temperature of 90-95 °C with stirring. After the reaction, you can go through cooling, separation, neutralization, washing by ethanol and vacuum distillation to get this chemical. The yield is above 90%.
Uses of 1-Bromododecane: it can react with methylamine to get dodecyl-methyl-amine. This reaction will need solvent ethanol. The reaction time is 3 days with ambient temperature. The yield is about 94%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing and avoid contact with skin and eyes. In case of 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: BrCCCCCCCCCCCC
(2)Std. InChI: InChI=1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
(3)Std. InChIKey: PBLNBZIONSLZBU-UHFFFAOYSA-N
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