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Brc1cnc(nc1)C
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CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
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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-
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Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]methylamino]-

O=C(OC(C)(C)C)CNc1ccccc1C(=O)O Request for Quotation
Chemical Name: Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]methylamino]-
CAS Number: 141871-02-5
Product Number: AG001H9W(AGN-PC-03DZ9J)
Synonyms:
MDL No:
Molecular Formula: C13H17NO4
Molecular Weight: 251.2784

Identification/Properties

Computed Properties
Molecular Weight:
251.282g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
251.116g/mol
Monoisotopic Mass:
251.116g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
321
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


The compound 2-((tert-Butoxycarbonyl)(methyl)amino) benzoic acid, also known as $name$, is a versatile molecule widely used in chemical synthesis processes. With its unique structural features, $name$ serves as a crucial building block in the creation of various pharmaceuticals, agrochemicals, and functional materials.One key application of $name$ in chemical synthesis is as a protecting group for the amino function in organic compounds. By selectively masking the amino group with the tert-Butoxycarbonyl (Boc) moiety, $name$ enables the manipulation of other reactive sites in the molecule without affecting the integrity of the amino group. This temporary protection allows chemists to carry out sequential reactions while avoiding undesired side reactions, leading to the controlled synthesis of complex molecules.Moreover, the presence of the benzoic acid moiety in $name$ offers additional reactivity and functionality to the compound. The carboxylic acid group can participate in various coupling reactions, such as amide bond formation, leading to the incorporation of $name$ into more elaborate molecular structures. This versatility makes $name$ a valuable tool in the construction of diverse organic compounds with specific biological or chemical properties.In summary, the strategic use of 2-((tert-Butoxycarbonyl)(methyl)amino) benzoic acid in chemical synthesis allows for precise control over the functional group transformations, facilitating the efficient and reliable production of complex molecules for a range of applications.