Carbamic acid, [(3-aminophenyl)methyl]methyl-, 1,1-dimethylethyl ester


Chemical Name: Carbamic acid, [(3-aminophenyl)methyl]methyl-, 1,1-dimethylethyl ester
CAS Number: 167756-90-3
Product Number: AG019MTJ(AGN-PC-0NBKK5)
Synonyms:
MDL No: MFCD11099516
Molecular Formula: C13H20N2O2
Molecular Weight: 236.3101

Identification/Properties


Computed Properties
Molecular Weight:
236.315g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
236.152g/mol
Monoisotopic Mass:
236.152g/mol
Topological Polar Surface Area:
55.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
261
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

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Chemical Structure



The tert-Butyl N-[(3-aminophenyl)methyl]-N-methylcarbamate is a versatile compound that finds valuable applications in chemical synthesis. Primarily, this compound serves as a key intermediate in the synthesis of various organic compounds due to its unique structure and reactivity. Its functional groups allow for selective manipulation through a variety of chemical reactions, making it a valuable building block in the creation of complex molecules.In chemical synthesis, tert-Butyl N-[(3-aminophenyl)methyl]-N-methylcarbamate can be utilized as a protecting group for amines, protecting the amine functionality from unwanted reactions during the synthesis process. This protection can be selectively removed at a later stage using appropriate conditions, enabling the targeted modification of other functional groups within the molecule.Additionally, this compound can act as a nucleophilic reagent in various synthetic transformations, participating in reactions such as amine alkylation, acylation, and other types of functional group modifications. Its ability to undergo diverse chemical reactions makes it a valuable tool for the preparation of pharmaceuticals, agrochemicals, and other fine chemicals.Overall, tert-Butyl N-[(3-aminophenyl)methyl]-N-methylcarbamate plays a crucial role in chemical synthesis by providing chemists with a versatile building block for the construction of intricate organic molecules with specific properties and functionalities.