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| CAS No.: | 75178-90-4 |
|---|---|
| Name: | 5-(BOC-AMINO)-1-PENTANOL |
| Molecular Structure: | |
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| Formula: | C10H21NO3 |
| Molecular Weight: | 203.282 |
| Synonyms: | Carbamicacid, (5-hydroxypentyl)-, 1,1-dimethylethyl ester (9CI);1,1-Dimethylethyl(5-hydroxypentyl)carbamate;5-(Boc-amino)pentan-1-ol;5-(N-tert-Butoxycarbonyl)amino-1-pentanol;5-(tert-Butoxycarbonyl)amino-1-pentanol;5-[[(t-Butyloxy)carbonyl]amino]pentanol;N-(tert-Butoxycarbonyl)-5-aminopentanol;tert-Butyl (5-hydroxypentyl)carbamate; |
| Density: | 0.999 g/cm3 |
| Boiling Point: | 318.4 °C at 760 mmHg |
| Flash Point: | 146.3 °C |
| Solubility: | Difficult to mix in water. |
| Appearance: | Pale Yellow Oil |
| Hazard Symbols: |
 Xi
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| Safety: | 23-24/25 |
| PSA: | 58.56000 |
| LogP: | 2.06460 |
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Specification
The 5-(tert-Butoxycarbonylamino)-1-pentanol, with the CAS registry number 75178-90-4, is also known as 5-(T-Boc-amino)-1-pentanol. It belongs to the product categories of All Aliphatics; Aliphatics. This chemical's molecular formula is C10H21NO3 and molecular weight is 203.28. What's more, its systematic name is tert-butyl (5-hydroxypentyl)carbamate. The product should be sealed and stored in containers with dry inert gas which are placed in cool and dry places. It should be protected from moisture and oxidizers. Its storage temperature is 2-8 °C.
Physical properties of 5-(tert-Butoxycarbonylamino)-1-pentanol are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.11; (6)ACD/BCF (pH 7.4): 5.11; (7)ACD/KOC (pH 5.5): 111.94; (8)ACD/KOC (pH 7.4): 111.94; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 55.24 cm3; (15)Molar Volume: 203.4 cm3; (16)Polarizability: 21.9×10-24 cm3; (17)Surface Tension: 34.9 dyne/cm; (18)Density: 0.999 g/cm3; (19)Flash Point: 146.3 °C; (20)Enthalpy of Vaporization: 64.9 kJ/mol; (21)Boiling Point: 318.4 °C at 760 mmHg; (22)Vapour Pressure: 3E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 5-amino-pentan-1-ol and di-tert-butyl dicarbonate at the ambient temperature. This reaction will need reagent aq. Na2CO3 with the reaction time of 12 hours. The yield is about 99%.
-1-pentanol.jpg)
Uses of 5-(tert-Butoxycarbonylamino)-1-pentanol: it can be used to produce 5-[(tert-Butoxycarbonyl)amino]-1-pentyl Bromide at the ambient temperature. It will need reagents PPh3, CBr4 and solvent tetrahydrofuran with the reaction time of 2 hour and stirring overnight. The yield is about 78%.
![5-(tert-Butoxycarbonylamino)-1-pentanol can be used to produce 5-[(tert-Butoxycarbonyl)amino]-1-pentyl Bromide.](/UserFilesUpload/Uses of 5-(tert-Butoxycarbonylamino)-1-pentanol(1).jpg)
When you are using this chemical, please be cautious about it as the following:
You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). Additionally, you should avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OC(C)(C)C)NCCCCCO
(2)InChI: InChI=1/C10H21NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8-12/h12H,4-8H2,1-3H3,(H,11,13)
(3)InChIKey: DDGNGFVNTZJMMZ-UHFFFAOYAL