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| CAS No.: | 53463-68-6 |
|---|---|
| Name: | 10-Bromodecanol |
| Article Data: | 81 |
| Molecular Structure: | |
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|
|
| Formula: | C10H21BrO |
| Molecular Weight: | 237.18 |
| Synonyms: | 10-Bromo-1-decanol;10-Bromodecanol; |
| EINECS: | 258-572-4 |
| Density: | 1.161 g/cm3 |
| Boiling Point: | 288.588 °C at 760 mmHg |
| Flash Point: | 118.313 °C |
| Solubility: | It is miscible with water. |
| Appearance: | Clear yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 20.23000 |
| LogP: | 3.49440 |
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- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
- 1296645-25-4
C14H29BrO3
- 53463-68-6
1-bromo-10-decanol
| Conditions | Yield |
|---|---|
| Stage #1: C14H29BrO3 With [2,2]bipyridinyl; trimethylsilyl trifluoromethanesulfonate In dichloromethane at 0℃; for 0.5h; Inert atmosphere; Stage #2: With water In diethyl ether; dichloromethane at 20℃; for 5h; Inert atmosphere; chemoselective reaction; | 95% |
- 112-47-0
1,10-Decanediol
- 53463-68-6
1-bromo-10-decanol
| Conditions | Yield |
|---|---|
| With hydrogen bromide In water; toluene for 16h; Inert atmosphere; Reflux; Dean-Stark; | 93% |
| With hydrogen bromide In water; toluene Reflux; Inert atmosphere; | 92% |
| With hydrogen bromide In water; toluene Reflux; | 92% |
- 1296645-37-8
C16H35BrO2Si
- 53463-68-6
1-bromo-10-decanol
| Conditions | Yield |
|---|---|
| Stage #1: C16H35BrO2Si With [2,2]bipyridinyl; trimethylsilyl trifluoromethanesulfonate In dichloromethane at 0℃; for 0.5h; Inert atmosphere; Stage #2: With water In dichloromethane at 20℃; for 3h; Inert atmosphere; chemoselective reaction; | 92% |
| Conditions | Yield |
|---|---|
| With hydrogen bromide In cyclohexane for 6h; Heating; | A 88% B 9% |
| With hydrogen bromide In toluene for 48h; Substitution; Heating; | A 87% B n/a |
| With hydrogen bromide In water; toluene Reflux; | A 87% B n/a |
- 1296645-36-7
C18H29BrO2
- 53463-68-6
1-bromo-10-decanol
| Conditions | Yield |
|---|---|
| Stage #1: C18H29BrO2 With [2,2]bipyridinyl; trimethylsilyl trifluoromethanesulfonate In dichloromethane at 0℃; for 0.5h; Inert atmosphere; Stage #2: With water In dichloromethane at 20℃; for 5h; Inert atmosphere; chemoselective reaction; | 88% |
- 252316-67-9
1-bromo-10-(methoxymethoxy)decane
- 53463-68-6
1-bromo-10-decanol
| Conditions | Yield |
|---|---|
| Stage #1: 1-bromo-10-(methoxymethoxy)decane With [2,2]bipyridinyl; trimethylsilyl trifluoromethanesulfonate In dichloromethane at 0℃; for 0.5h; Inert atmosphere; Stage #2: With water In diethyl ether; dichloromethane at 20℃; for 7h; Inert atmosphere; chemoselective reaction; | 88% |
| Multi-step reaction with 3 steps 1.1: dichloromethane / 0.5 h / 0 °C / Inert atmosphere 2.1: dichloromethane / 20 °C / Inert atmosphere 3.1: [2,2]bipyridinyl; trimethylsilyl trifluoromethanesulfonate / dichloromethane / 0.5 h / 0 °C / Inert atmosphere 3.2: 5 h / 20 °C / Inert atmosphere View Scheme | |
| Multi-step reaction with 3 steps 1.1: dichloromethane / 0.5 h / 0 °C / Inert atmosphere 2.1: dichloromethane / 24 h / 20 °C / Inert atmosphere 3.1: [2,2]bipyridinyl; trimethylsilyl trifluoromethanesulfonate / dichloromethane / 0.5 h / 0 °C / Inert atmosphere 3.2: 5 h / 20 °C / Inert atmosphere View Scheme | |
| Multi-step reaction with 3 steps 1.1: dichloromethane / 0.5 h / 0 °C / Inert atmosphere 2.1: dichloromethane / 6 h / 20 °C / Inert atmosphere 3.1: [2,2]bipyridinyl; trimethylsilyl trifluoromethanesulfonate / dichloromethane / 0.5 h / 0 °C / Inert atmosphere 3.2: 3 h / 20 °C / Inert atmosphere View Scheme |
- 53463-68-6
1-bromo-10-decanol
| Conditions | Yield |
|---|---|
| With montmorillonite K 10 supported ammonium nitrate In neat (no solvent) for 0.05h; Irradiation; | 86% |
- 13019-22-2
9-Decen-1-ol
A
- 53463-68-6
1-bromo-10-decanol
B
- 1275582-65-4
9-bromo-decane-1-ol
C
- 127102-48-1
8-(oxiran-2-yl)octan-1-ol
D
- 91717-85-0
decane-1,2,10-triol
| Conditions | Yield |
|---|---|
| With [VIVO(sal-l-val)(1,10-phenanthroline)]; dihydrogen peroxide; potassium bromide at 20℃; for 8h; Catalytic behavior; Acidic conditions; | A 41% B 2% C n/a D n/a |
- 13019-22-2
9-Decen-1-ol
A
- 53463-68-6
1-bromo-10-decanol
B
- 1275582-65-4
9-bromo-decane-1-ol
C
- 127102-48-1
8-(oxiran-2-yl)octan-1-ol
| Conditions | Yield |
|---|---|
| With [VO(O)2(PAH)(Phen)]; dihydrogen peroxide; nitric acid; potassium bromide In N,N-dimethyl-formamide; acetonitrile at 20℃; for 5h; | A 15% B 8% C 10% |
- 50530-12-6
10-bromodecanoic acid
- 53463-68-6
1-bromo-10-decanol
| Conditions | Yield |
|---|---|
| With borane In tetrahydrofuran |
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Specification
The IUPAC name of this chemical is 10-bromodecan-1-ol. With the CAS registry number 53463-68-6, it is also named as 1-Decanol, 10-bromo-. The product's categories are omega-Bromoalkanols; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; Linear Hydrocarbon Series. It is clear yellow liquid which should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.92; (4)ACD/LogD (pH 7.4): 3.92; (5)ACD/BCF (pH 5.5): 565.8; (6)ACD/BCF (pH 7.4): 565.8; (7)ACD/KOC (pH 5.5): 3250.55; (8)ACD/KOC (pH 7.4): 3250.55; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.476; (13)Molar Refractivity: 57.64 cm3; (14)Molar Volume: 204.2 cm3; (15)Polarizability: 22.85×10-24 cm3; (16)Surface Tension: 35.5 dyne/cm; (17)Enthalpy of Vaporization: 61.25 kJ/mol; (18)Vapour Pressure: 0.000257 mmHg at 25°C; (19)Rotatable Bond Count: 9; (20)Exact Mass: 236.077578; (21)MonoIsotopic Mass: 236.077578; (22)Topological Polar Surface Area: 20.2; (23)Complexity: 76.2.
Preparation of 10-Bromodecanol: It can be obtained by decane-1,10-diol. This reaction needs reagent conc. HBr. And the yield is 81%.
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Uses of 10-Bromodecanol: It can react with propynoic acid to get propynoic acid 10-bromo-decyl ester. This reaction needs reagents DCC, DMAP and solvent ethyl acetate at ambient temperature. The yield is 65%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:BrCCCCCCCCCCO
2. InChI:InChI=1/C10H21BrO/c11-9-7-5-3-1-2-4-6-8-10-12/h12H,1-10H2
3. InChIKey:LGZMUUBPTDRQQM-UHFFFAOYAG