Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Bicyclo[2.2.1]heptane,2-methyl-3-methylene-2-(4-methyl-3-penten-1-yl)-, (1S,2R,4R)- |
EINECS | 208-130-1 |
CAS No. | 511-59-1 | Density | 0.89 g/cm3 |
PSA | 0.00000 | LogP | 4.72520 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H24 | Boiling Point | 260.1 °C at 760 mmHg |
Molecular Weight | 204.356 | Flash Point | 100.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Bicyclo[2.2.1]heptane,2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S,2R,4R)- (9CI);Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-,(1S-exo)-;Norbornane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)- (8CI);β-Santalene (6CI,7CI);(-)-β-Santalene;(1S,2R,4R)-2-Methyl-3-methylene-2-(4-methylpent-3-en-1-yl)bicyclo[2.2.1]heptane;(1S-exo)-2-Methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo(2.2.1)heptane;Bicyclo(2.2.1)heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S,2R,4R)-;bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-penten-1-yl)-, (1S,2R,4R)-;Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-exo)-; |
Article Data | 20 |
The Bicyclo[2.2.1]heptane,2-methyl-3-methylene-2-(4-methyl-3-penten-1-yl)-, (1S,2R,4R)-, with the CAS registry number 511-59-1 and EINECS registry number 208-130-1, has the systematic name of (1S,2R,4R)-2-methyl-3-methylidene-2-(4-methylpent-3-en-1-yl)bicyclo[2.2.1]heptane. And the molecular formula of this chemical is C15H24.
The physical properties of Bicyclo[2.2.1]heptane,2-methyl-3-methylene-2-(4-methyl-3-penten-1-yl)-, (1S,2R,4R)- are as followings: (1)ACD/LogP: 6.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.54; (4)ACD/LogD (pH 7.4): 6.54; (5)ACD/BCF (pH 5.5): 55116.79; (6)ACD/BCF (pH 7.4): 55116.79; (7)ACD/KOC (pH 5.5): 86177.3; (8)ACD/KOC (pH 7.4): 86177.3; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 66.59 cm3; (15)Molar Volume: 228.4 cm3; (16)Polarizability: 26.4×10-24cm3; (17)Surface Tension: 29.7 dyne/cm; (18)Density: 0.89 g/cm3; (19)Flash Point: 100.8 °C; (20)Enthalpy of Vaporization: 47.76 kJ/mol; (21)Boiling Point: 260.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0202 mmHg at 25°C.
Uses of Bicyclo[2.2.1]heptane,2-methyl-3-methylene-2-(4-methyl-3-penten-1-yl)-, (1S,2R,4R)-: It can be used to produce (-)-β-santalene. This reaction will need reagents hydrazine and KOH, and the solvent ethane-1,2-diol. The reaction time is 5 hours with heating, and the yield is about 85%.
You can still convert the following datas into molecular structure:
(1)SMILES: C1(=C)\[C@@](CC\C=C(/C)C)(C)[C@@H]2C[C@H]1CC2
(2)InChI: InChI=1/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14+,15+/m1/s1
(3)InChIKey: PGBNIHXXFQBCPU-ILXRZTDVBI