tert-Butyl N-allylcarbamate
Product Information
Molecular Formula
C8H15NO2
Molecular Weight
157.212
Description
tert-Butyl N-allylcarbamate is a profound bioactive compound extensively employed in the biomedical domain and exhibits immense promise as a therapeutic entity for precise drug administration and disease control. Its intricate configuration and properties render it a potential contender in the drug development of diverse ailments, including cancer and inflammation.
Synonyms
α-Vinylpyridine,2-Ethenylpyridine,2-Pyridylethylene
IUPAC Name
tert-butyl N-prop-2-enylcarbamate
SMILES
CC(C)(C)OC(=O)NCC=C
InChI
InChI=1S/C8H15NO2/c1-5-6-9-7(10)11-8(2,3)4/h5H,1,6H2,2-4H3,(H,9,10)
InChI Key
AWARHXCROCWEAK-UHFFFAOYSA-N
Boiling Point
48-50°C/0.3mm
Melting Point
36-38°C
Flash Point
174.2 °CF - closed cup
Purity
95%
Density
0.938 g/mL at 25°C(lit.)
Safety Information
Hazards
H302
Computed Properties
XLogP3
1.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
157.110278721 g/mol
Monoisotopic Mass
157.110278721 g/mol
Topological Polar Surface Area
38.3Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
147
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113121388-A | Cinacalcet intermediate and synthetic method of cinacalcet hydrochloride | 2021-03-29 |
| CN-113121388-B | Cinacalcet intermediate and synthetic method of cinacalcet hydrochloride | 2021-03-29 |
| CN-111662220-A | Pleuromutilin compounds for treating novel bacterial infectious diseases secondary to coronavirus pneumonia | 2020-04-20 |
| KR-20210093155-A | Novel compound, preparation method thereof, and use thereof | 2020-01-17 |
| WO-2021145729-A1 | Novel compound, preparation method thereof, and use thereof | 2020-01-17 |
| WO-2021127586-A1 | Protein tyrosine phosphatase degraders and methods of use thereof | 2019-12-20 |
| WO-2021071802-A1 | Aryl heterocyclic compounds as kv1.3 potassium shaker channel blockers | 2019-10-07 |
| US-2020339816-A1 | Water-soluble polynorbornene dyes having pendant chromophores | 2019-04-29 |
| WO-2020222894-A1 | Water-soluble polynorbornene dyes having pendant chromophores | 2019-04-29 |
| US-2022043341-A1 | Imprint lithography stamp method of making and using the same | 2018-10-09 |
