N-Boc-Ethylenediamine

The CAS register number of N-Boc-ethylenediamine is 57260-73-8. It also can be called as N-tert-Butyloxycarbonyl-1,2-ethylenediamine and the IUPAC name about this chemical is tert-butyl N-(2-aminoethyl)carbamate. The molecular formula about this chemical is C₇H₁₆N₂O₂ and the molecular weight is 160.22. It belongs to the following product categories, such as N-Boc; Amines; blocks; Amines and Anilines; Aliphatics; Nitric Oxide Reagents; Exciton Chirality CD Methodfor (for Monofunctional Compounds); Monoprotected Diaminoalkanes; N-Boc-diaminoalkanes; Absolute Configuration Determination (Exciton Chirality CD Method); Analytical Chemistry; Enantiomer Excess & Absolute Configuration Determination; Cross Linking Reagents and so on. This chemical can be used as a pharmaceutical intermediate. If you want to store this chemical, please keep it in a closed container and store it in a cool, dry place.

Physical properties about N-Boc-ethylenediamine are: (1)ACD/LogP: 0.38 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1.213; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 64.35Ų; (10)Index of Refraction: 1.454; (11)Molar Refractivity: 43.35 cm³; (12)Molar Volume: 160.107 cm³; (13)Polarizability: 17.185x10^-24cm³; (14)Surface Tension: 34.3 dyne/cm; (15)Enthalpy of Vaporization: 49.014 kJ/mol; (16)Boiling Point: 252.778 °C at 760 mmHg; (17)Vapour Pressure: 0.019 mmHg at 25°C.

Preparation: this chemical can be prepared by t-butoxycarbonylaminoacetonitrile. This reaction will need reagent H₂ and catalyst 5percent Raney-Ni. The yield is about 77%.

Uses of N-Boc-ethylenediamine: it can be used to produce (2-isothiocyanato-ethyl)-carbamic acid tert-butyl ester with carbon disulfide. This reaction will need reagent DCC and solvent tetrahydrofuran.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NCCN
(2)InChI: InChI=1/C7H16N2O2/c1-7(2,3)11-6(10)9-5-4-8/h4-5,8H2,1-3H3,(H,9,10)
(3)InChIKey: AOCSUUGBCMTKJH-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H16N2O2/c1-7(2,3)11-6(10)9-5-4-8/h4-5,8H2,1-3H3,(H,9,10)
(5)Std. InChIKey: AOCSUUGBCMTKJH-UHFFFAOYSA-N