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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

tert-butyl N-[3-(cyanomethyl)phenyl]carbamate

N#CCc1cccc(c1)NC(=O)OC(C)(C)C Request for Quotation
Chemical Name: tert-butyl N-[3-(cyanomethyl)phenyl]carbamate
CAS Number: 954238-67-6
Product Number: AG00IJ2U(AGN-PC-0H3C6M)
Synonyms:
MDL No:
Molecular Formula: C13H16N2O2
Molecular Weight: 232.2783

Identification/Properties

Computed Properties
Molecular Weight:
232.283g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
232.121g/mol
Monoisotopic Mass:
232.121g/mol
Topological Polar Surface Area:
62.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
311
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

Safety Information

GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Tert-Butyl (3-(cyanomethyl)phenyl)carbamate is a versatile compound widely used in chemical synthesis as a key building block for various organic reactions. Due to its unique structure and reactivity, this compound serves as a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and materials science. With its tert-butyl group providing steric hindrance and stability, combined with the cyano and carbamate functionalities enabling diverse functional group transformations, this compound offers synthetic chemists a valuable tool for achieving complex molecular structures efficiently. Its application in multistep synthesis allows for the creation of novel molecules with diverse biological activities and physical properties, making it an essential component in modern organic chemistry research and industrial processes.