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5-(tert-Butoxycarbonylamino)-1-pentanol

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Name

5-(tert-Butoxycarbonylamino)-1-pentanol

EINECS N/A
CAS No. 75178-90-4 Density 0.999 g/cm3
PSA 58.56000 LogP 2.06460
Solubility Difficult to mix in water. Melting Point N/A
Formula C10H21NO3 Boiling Point 318.4 °C at 760 mmHg
Molecular Weight 203.282 Flash Point 146.3 °C
Transport Information N/A Appearance Pale Yellow Oil
Safety 23-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 75178-90-4 (5-(BOC-AMINO)-1-PENTANOL) Hazard Symbols IrritantXi
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;

Article Data 82

5-(tert-Butoxycarbonylamino)-1-pentanol 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%.

5-(tert-Butoxycarbonylamino)-1-pentanol can be prepared by 5-amino-pentan-1-ol and di-tert-butyl dicarbonate

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.

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

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