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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-Indole-1-carboxylic acid, 5-chloro-, 1,1-dimethylethyl ester

Clc1ccc2c(c1)ccn2C(=O)OC(C)(C)C Request for Quotation
Chemical Name: 1H-Indole-1-carboxylic acid, 5-chloro-, 1,1-dimethylethyl ester
CAS Number: 129822-48-6
Product Number: AG000TPJ(AGN-PC-009JC3)
Synonyms:
MDL No:
Molecular Formula: C13H14ClNO2
Molecular Weight: 251.7088

Identification/Properties

Computed Properties
Molecular Weight:
251.71g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
251.071g/mol
Monoisotopic Mass:
251.071g/mol
Topological Polar Surface Area:
31.2A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
300
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:
Danger
UN#:
2811
Hazard Statements:
H301-H317
Precautionary Statements:
P280-P301+P310
Class:
6.1
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


tert-Butyl 5-chloro-1H-indole-1-carboxylate is a versatile compound widely used in chemical synthesis due to its unique properties. This compound serves as a key building block in the creation of various important molecules with diverse applications in the field of organic chemistry. Its strategic chlorine substitution and tert-butyl functionality provide an excellent platform for introducing further modifications and functional groups into a molecule. In chemical synthesis, tert-Butyl 5-chloro-1H-indole-1-carboxylate is utilized for the preparation of biologically active compounds, pharmaceutical intermediates, agrochemicals, and materials science applications. Its reactivity and stability make it a valuable tool for organic chemists seeking to design and assemble complex molecular structures with precision and efficiency.