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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)-

1H-Pyrido[3,4-b]indole-3-carboxylic acid,1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-, methyl ester, (1R,3R)-

COC(=O)[C@@H]1N[C@H](c2ccc3c(c2)OCO3)c2c(C1)c1ccccc1[nH]2 Request for Quotation
Chemical Name: 1H-Pyrido[3,4-b]indole-3-carboxylic acid,1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-, methyl ester, (1R,3R)-
CAS Number: 171596-41-1
Product Number: AG00ABZT(AGN-PC-0Q9XM7)
Synonyms:
MDL No:
Molecular Formula: C20H18N2O4
Molecular Weight: 350.3679

Identification/Properties

Computed Properties
Molecular Weight:
350.374g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
350.127g/mol
Monoisotopic Mass:
350.127g/mol
Topological Polar Surface Area:
72.6A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
544
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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

NMR Spectrum

Other Analytical Data

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Chemical Structure


The compound (1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, commonly known as $name$, is a versatile building block widely utilized in chemical synthesis. Its unique structure and reactive groups make it a valuable intermediate in the production of various organic compounds.In chemical synthesis, $name$ acts as a key starting material for the preparation of complex molecules due to its ability to participate in a range of important chemical transformations. Its functional groups allow for selective modifications, enabling the introduction of different substituents at specific positions within the molecule.$name$ plays a crucial role in the synthesis of biologically active compounds, pharmaceuticals, and materials with specialized properties. Its incorporation into target molecules can lead to the creation of new drugs, agrochemicals, and functional materials with tailored properties for specific applications.Furthermore, the strategic use of $name$ in synthetic routes allows for the efficient construction of molecular scaffolds with diverse functionalities, making it an indispensable tool in the field of organic chemistry. Its applications extend to the development of novel chemical entities and the exploration of structure-activity relationships in drug discovery and material science.