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  2. 2-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

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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)-

2-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

OC(=O)C(c1ccc(cc1)Br)NC(=O)OC(C)(C)C Request for Quotation
Chemical Name: 2-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CAS Number: 917925-71-4
Product Number: AG003EZL(AGN-PC-03NRU5)
Synonyms:
MDL No: MFCD04115515
Molecular Formula: C13H16BrNO4
Molecular Weight: 330.1744

Identification/Properties

Properties
Storage:
Room Temperature;Keep in dry area;
Computed Properties
Molecular Weight:
330.178g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
329.026g/mol
Monoisotopic Mass:
329.026g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
332
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-(4-Bromophenyl)-2-((tert-butoxycarbonyl)amino)acetic acid serves as a versatile building block in chemical synthesis due to its unique structural features and reactivity. This compound can be utilized as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and specialty chemicals. In organic synthesis, it is commonly employed as a precursor for the preparation of peptides and peptidomimetics through solid-phase peptide synthesis (SPPS) or solution-phase synthesis. The tert-butoxycarbonyl (Boc) protecting group on the amino functionality provides selective reactivity, allowing for controlled manipulation of the amino acid moiety during subsequent synthetic steps. Furthermore, the presence of the bromophenyl group enables further functionalization through cross-coupling reactions, such as Suzuki-Miyaura coupling or Buchwald-Hartwig amination, to introduce diverse substituents for the synthesis of complex organic molecules.