3-(Boc-Amino)-1-propanol supplier

Name
3-(Boc-Amino)-1-propanol
EINECS
CAS No. 58885-58-8
Article Data24
CAS DataBase
Density 1.028 g/cm³
Solubility
Melting Point
Formula C₈H₁₇NO₃
Boiling Point 292.6 °C at 760 mmHg
Molecular Weight 175.228
Flash Point 130.7 °C
Transport Information
Appearance colorless to yellow or brown liquid
Safety 23-24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, (3-hydroxypropyl)-, 1,1-dimethylethyl ester (9CI);(3-Hydroxypropyl)carbamic acid 1,1-dimethylethyl ester;(3-Hydroxypropyl)carbamic acid tert-butyl ester;1,1-Dimethylethyl(3-hydroxypropyl)carbamate;3-(Boc-amino)-1-propanol;3-(N-tert-Butoxycarbonylamino)-1-propanol;3-(N-tert-Butoxycarbonylamino)propanol;3-(tert-Butoxycarbonylamino)-1-propanol;3-(tert-Butoxycarbonylamino)propanol;N-(3-Hydroxypropyl)carbamic acidtert-butyl ester;N-(tert-Butoxycarbonyl)-3-amino-1-propanol;tert-Butyl(3-hydroxypropyl)carbamate;tert-Butyl N-(3-hydroxypropyl)carbamate;
PSA 58.56000
LogP 1.28440

3-(Boc-Amino)-1-propanol Specification

This chemical is called 3-(Boc-Amino)-1-propanol, and its systematic name is tert-butyl (3-hydroxypropyl)carbamate. With the molecular formula of C₈H₁₇NO₃, its molecular weight is 175.23. The CAS registry number of this chemical is 58885-58-8. Additionally, this chemical is colorless to yellow or brown liquid.

Other characteristics of the 3-(Boc-Amino)-1-propanol can be summarised as followings: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.7; (4)ACD/LogD (pH 7.4): 0.7; (5)ACD/BCF (pH 5.5): 2.02; (6)ACD/BCF (pH 7.4): 2.02; (7)ACD/KOC (pH 5.5): 57.61; (8)ACD/KOC (pH 7.4): 57.61; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 45.98 cm³; (15)Molar Volume: 170.4 cm³; (16)Polarizability: 18.22×10^-24cm³; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 1.028 g/cm³; (19)Flash Point: 130.7 °C; (20)Enthalpy of Vaporization: 61.74 kJ/mol; (21)Boiling Point: 292.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000194 mmHg at 25°C.

Production method of this chemical: The 3-(Boc-Amino)-1-propanol could be obtained by the reactants of 3-amino-propan-1-ol and di-tert-butyl dicarbonate. This reaction needs the reagent of aq. NaOH, and the solvent of dioxane. The yield is 99 %. In addition, this reaction should be taken at the temperature of 0 °C.

Uses of this chemical: The N-(tert-butoxycarbonyl)-3-bromopropylamine could be obtained by the reactant of 3-(Boc-Amino)-1-propanol. This reaction needs the reagents of PPh₃, CBr₄, and the solvent of tetrahydrofuran. The yield is 75 %. This reaction should be taken for 6 hours at the ambient temperature.

When you are using this chemical, please be cautious about it as the following: Do not breathe vapour. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)NCCCO
2.InChI: InChI=1/C8H17NO3/c1-8(2,3)12-7(11)9-5-4-6-10/h10H,4-6H2,1-3H3,(H,9,11)
3.InChIKey: XDJCYKMWJCYQJM-UHFFFAOYAM

Product Name

3-(Boc-Amino)-1-propanol

3-(Boc-Amino)-1-propanol Specification

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