Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate supplier

Name
Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate
EINECS
CAS No. 87219-29-2
Article Data14
CAS DataBase
Density 1.272 g/cm³
Solubility
Melting Point 103-105 °C(lit.)
Formula C₁₂H₁₃NO₄
Boiling Point 466.087 °C at 760 mmHg
Molecular Weight 235.24
Flash Point 235.681 °C
Transport Information
Appearance
Safety 36/37-24/25
Risk Codes 43
Molecular Structure
Hazard Symbols Xi
Synonyms Carbamicacid, (tetrahydro-5-oxo-3-furanyl)-, phenylmethyl ester, (S)-;Carbamic acid, [(3S)-tetrahydro-5-oxo-3-furanyl]-,phenylmethyl ester (9CI);(S)-3-[(Benzyloxycarbonyl)amino]-g-butryolactone;Benzyl(S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate;
PSA 64.63000
LogP 1.61920

Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate Specification

The CAS register number of Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate is 87219-29-2. It also can be called as (S)-(Tetrahydro-5-oxo-3-furanyl)carbamic acid phenylmethyl ester and the IUPAC name about this chemical is benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate. The molecular formula about this chemical is C₁₂H₁₃NO₄and molecular weight is 235.24. It belongs to the following product categories, such as N-CBZ; chiral; Chiral Reagents; Chiral Building Blocks; Furans; Heterocyclic Building Blocks and so on.

Physical properties about Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate are: (1)ACD/LogP: 0.47; (2)ACD/LogD (pH 5.5): 0.471; (3)ACD/LogD (pH 7.4): 0.471; (4)ACD/BCF (pH 5.5): 1.343; (5)ACD/BCF (pH 7.4): 1.343; (6)ACD/KOC (pH 5.5): 42.986; (7)ACD/KOC (pH 7.4): 42.972; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 64.63Å²; (12)Index of Refraction: 1.561; (13)Molar Refractivity: 59.836 cm³; (14)Molar Volume: 184.887 cm³; (15)Polarizability: 23.721x10^-24cm³; (16)Surface Tension: 50.057 dyne/cm; (17)Enthalpy of Vaporization: 72.782 kJ/mol; (18)Boiling Point: 466.087 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)COC(=O)N[C@H]2CC(=O)OC2
(2)InChI: InChI=1/C12H13NO4/c14-11-6-10(8-16-11)13-12(15)17-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)/t10-/m0/s1
(3)InChIKey: BNIBNUOPVTZWRT-JTQLQIEIBH
(4)Std. InChI: InChI=1S/C12H13NO4/c14-11-6-10(8-16-11)13-12(15)17-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)/t10-/m0/s1
(5)Std. InChIKey: BNIBNUOPVTZWRT-JTQLQIEISA-N

Product Name

Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate

Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate Specification

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