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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)-

7-Azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid, 7-(1,1-dimethylethyl)ester, (1S,2S,4R)-

O=C(N1[C@@H]2CC[C@H]1[C@H](C2)C(=O)O)OC(C)(C)C Request for Quotation
Chemical Name: 7-Azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid, 7-(1,1-dimethylethyl)ester, (1S,2S,4R)-
CAS Number: 918411-46-8
Product Number: AG006RPE(AGN-PC-0VWCS6)
Synonyms:
MDL No:
Molecular Formula: C12H19NO4
Molecular Weight: 241.2836

Identification/Properties

Properties
BP:
371.004°C at 760 mmHg
Storage:
2-8℃;Keep in dry area;
Computed Properties
Molecular Weight:
241.287g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
241.131g/mol
Monoisotopic Mass:
241.131g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
347
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


(1S,2S,4R)-7-(tert-Butoxycarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is a versatile compound commonly used in chemical synthesis. Its asymmetric structure provides a unique chiral environment that makes it valuable for producing enantiomerically pure compounds. This compound is often utilized as a key building block in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. Specifically, (1S,2S,4R)-7-(tert-Butoxycarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid can serve as a precursor for the creation of biologically active molecules with defined stereochemistry, making it a crucial component in the development of new drug candidates and chemical intermediates. Its contribution to chemical synthesis lies in its ability to efficiently introduce chirality into molecular structures, enabling the production of highly pure and specific compounds for various applications in the chemical industry.