Carbamic acid, [(1S)-4-hydroxy-1-(hydroxymethyl)butyl]-,1,1-dimethylethyl ester


Chemical Name: Carbamic acid, [(1S)-4-hydroxy-1-(hydroxymethyl)butyl]-,1,1-dimethylethyl ester
CAS Number: 162955-48-8
Product Number: AG001TKK(AGN-PC-0Q8CG5)
Synonyms:
MDL No:
Molecular Formula: C10H21NO4
Molecular Weight: 219.2780

Identification/Properties


Properties
MP:
59-62 °C(lit.)
BP:
399°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
219.281g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
219.147g/mol
Monoisotopic Mass:
219.147g/mol
Topological Polar Surface Area:
78.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
188
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



(S)-tert-Butyl (1,5-dihydroxypentan-2-yl)carbamate, a versatile compound used in chemical synthesis, plays a crucial role in various applications within the field of chemistry. One key application of this compound lies in its utility as a chiral building block in asymmetric synthesis. Due to its unique structure, (S)-tert-Butyl (1,5-dihydroxypentan-2-yl)carbamate can serve as a valuable precursor for creating complex chiral molecules with high stereochemical purity. Its presence in synthetic pathways allows for the controlled introduction of chirality, enabling chemists to produce enantiomerically pure compounds vital in pharmaceutical, agrochemical, and materials science industries. The compound's ability to selectively influence stereochemistry makes it an indispensable tool for chemists striving to craft intricate molecular structures with specific desired properties.