tert-butyl N-[3-hydroxy-1-(4-methoxyphenyl)propyl]carbamate


Chemical Name: tert-butyl N-[3-hydroxy-1-(4-methoxyphenyl)propyl]carbamate
CAS Number: 96363-26-7
Product Number: AG003I6N(AGN-PC-0IGX89)
Synonyms:
MDL No: MFCD18907511
Molecular Formula: C15H23NO4
Molecular Weight: 281.3474

Identification/Properties


Computed Properties
Molecular Weight:
281.352g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
281.163g/mol
Monoisotopic Mass:
281.163g/mol
Topological Polar Surface Area:
67.8A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
293
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-(Boc-amino)-3-(4-methoxyphenyl)-1-propanol is a versatile compound that finds wide applications in chemical synthesis. Its amino and methoxyphenyl groups make it a valuable building block in the creation of various organic molecules. In peptide synthesis, this compound acts as a protected amino acid derivative due to the Boc (tert-butyloxycarbonyl) protecting group, allowing for selective deprotection and controlled reactions. Additionally, the presence of the 4-methoxyphenyl group can impart specific chemical properties to the synthesized compounds, making it a useful tool for structure-activity relationship studies in drug discovery. Finally, the 1-propanol moiety provides a convenient handle for further derivatization, enabling the synthesis of more complex molecules with tailored properties.