Indolecarboxylic acids and derivatives

Description:

Compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Indoles and derivatives ⮕ Indolecarboxylic acids and derivatives

1-Boc-4-formylindoline
- ≥97%
Cas Number: 1207194-48-6 Compound CID: 53393788

Formula: C₁₄H₁₇NO₃ Molecular Weight: 247.29

IUPAC Name: tert-butyl 4-formyl-2,3-dihydroindole-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1CCC2=C(C=CC=C21)C=O

InChIKey: FEAIDQMPFVVRKA-UHFFFAOYSA-N

InChI: InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-8-7-11-10(9-16)5-4-6-12(11)15/h4-6,9H,7-8H2,1-3H3
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1-(tert-Butoxycarbonyl)indoline-6-carboxylic acid
- ≥95%
Cas Number: 208772-41-2 Compound CID: 18354849

Formula: C₁₄H₁₇NO₄ Molecular Weight: 263.29

IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-6-carboxylic acid

SMILES: CC(C)(C)OC(=O)N1CCC2=C1C=C(C=C2)C(=O)O

InChIKey: QAODAHHBCGSYTN-UHFFFAOYSA-N

InChI: InChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-7-6-9-4-5-10(12(16)17)8-11(9)15/h4-5,8H,6-7H2,1-3H3,(H,16,17)
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1-Acetylindoline-5-carboxylic Acid
- ≥95%
Cas Number: 153247-93-9 Compound CID: 5295547

Formula: C₁₁H₁₁NO₃ Molecular Weight: 205.21

IUPAC Name: 1-acetyl-2,3-dihydroindole-5-carboxylic acid

SMILES: CC(=O)N1CCC2=C1C=CC(=C2)C(=O)O

InChIKey: KRXHHESVJTVORG-UHFFFAOYSA-N

InChI: InChI=1S/C11H11NO3/c1-7(13)12-5-4-8-6-9(11(14)15)2-3-10(8)12/h2-3,6H,4-5H2,1H3,(H,14,15)
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1-(tert-Butoxycarbonyl)-1H-indole-4-carboxylic acid
- ≥98%
Cas Number: 848444-79-1 Compound CID: 49758850

Formula: C₁₄H₁₅NO₄ Molecular Weight: 261.28

IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]indole-4-carboxylic acid

SMILES: CC(C)(C)OC(=O)N1C=CC2=C(C=CC=C21)C(=O)O

InChIKey: HQSFITLRCKIRLE-UHFFFAOYSA-N

InChI: InChI=1S/C14H15NO4/c1-14(2,3)19-13(18)15-8-7-9-10(12(16)17)5-4-6-11(9)15/h4-8H,1-3H3,(H,16,17)
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1-Acetylindoline-2-carboxylic acid
- ≥97%
Cas Number: 82923-75-9 Compound CID: 10058771

Formula: C₁₁H₁₁NO₃ Molecular Weight: 205.21

IUPAC Name: 1-acetyl-2,3-dihydroindole-2-carboxylic acid

SMILES: CC(=O)N1C(CC2=CC=CC=C21)C(=O)O

InChIKey: OGMIMMRKTFZDKW-UHFFFAOYSA-N

InChI: InChI=1S/C11H11NO3/c1-7(13)12-9-5-3-2-4-8(9)6-10(12)11(14)15/h2-5,10H,6H2,1H3,(H,14,15)
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tert-Butyl 7-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
- ≥97%
Cas Number: 1218790-31-8 Compound CID: 53217208

Formula: C₁₉H₂₅BClNO₄ Molecular Weight: 377.68

IUPAC Name: tert-butyl 7-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate

SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=CC=C3Cl)C(=O)OC(C)(C)C

InChIKey: BEBXOCOXQGXHIB-UHFFFAOYSA-N

InChI: InChI=1S/C19H25BClNO4/c1-17(2,3)24-16(23)22-11-13(12-9-8-10-14(21)15(12)22)20-25-18(4,5)19(6,7)26-20/h8-11H,1-7H3
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tert-Butyl 7-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
- ≥95%
Cas Number: 1218790-26-1 Compound CID: 53217201

Formula: C₂₀H₂₈BNO₅ Molecular Weight: 373.26

IUPAC Name: tert-butyl 7-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate

SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=CC=C3OC)C(=O)OC(C)(C)C

InChIKey: GXVNJKPEAWTIRL-UHFFFAOYSA-N

InChI: InChI=1S/C20H28BNO5/c1-18(2,3)25-17(23)22-12-14(13-10-9-11-15(24-8)16(13)22)21-26-19(4,5)20(6,7)27-21/h9-12H,1-8H3
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tert-Butyl 6-methyl-2-(4，4，5，5-tetramethyl-1，3，2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
- ≥95%
Cas Number: 1218791-10-6 Compound CID: 53217092

Formula: C₂₀H₂₈BNO₄ Molecular Weight: 357.26

IUPAC Name: tert-butyl 6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate

SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N2C(=O)OC(C)(C)C)C=C(C=C3)C

InChIKey: DLJSHMNWOLUBTQ-UHFFFAOYSA-N

InChI: InChI=1S/C20H28BNO4/c1-13-9-10-14-12-16(21-25-19(5,6)20(7,8)26-21)22(15(14)11-13)17(23)24-18(2,3)4/h9-12H,1-8H3
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tert-Butyl 7-(bromomethyl)-1H-indole-1-carboxylate
- ≥95%
Cas Number: 442910-45-4 Compound CID: 21874701

Formula: C₁₄H₁₆BrNO₂ Molecular Weight: 310.19

IUPAC Name: tert-butyl 7-(bromomethyl)indole-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1C=CC2=C1C(=CC=C2)CBr

InChIKey: YVGLGHAMSGVDOZ-UHFFFAOYSA-N

InChI: InChI=1S/C14H16BrNO2/c1-14(2,3)18-13(17)16-8-7-10-5-4-6-11(9-15)12(10)16/h4-8H,9H2,1-3H3
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tert-Butyl 6-formylindoline-1-carboxylate
- ≥95%
Cas Number: 391668-75-0 Compound CID: 17852149

Formula: C₁₄H₁₇NO₃ Molecular Weight: 247.29

IUPAC Name: tert-butyl 6-formyl-2,3-dihydroindole-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1CCC2=C1C=C(C=C2)C=O

InChIKey: CIZCOLAJWVBFIV-UHFFFAOYSA-N

InChI: InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-7-6-11-5-4-10(9-16)8-12(11)15/h4-5,8-9H,6-7H2,1-3H3
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tert-Butyl 6-hydroxyindoline-1-carboxylate
- ≥97%
Cas Number: 957204-30-7 Compound CID: 53415345

Formula: C₁₃H₁₇NO₃ Molecular Weight: 235.28

IUPAC Name: tert-butyl 6-hydroxy-2,3-dihydroindole-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1CCC2=C1C=C(C=C2)O

InChIKey: SXNCTPYZLPTVSQ-UHFFFAOYSA-N

InChI: InChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-7-6-9-4-5-10(15)8-11(9)14/h4-5,8,15H,6-7H2,1-3H3
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tert-Butyl 7-aminoindoline-1-carboxylate
- ≥95%
Cas Number: 885272-44-6 Compound CID: 53249814

Formula: C₁₃H₁₈N₂O₂ Molecular Weight: 234.29

IUPAC Name: tert-butyl 7-amino-2,3-dihydroindole-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1CCC2=C1C(=CC=C2)N

InChIKey: IGGCXTTVKSYIIK-UHFFFAOYSA-N

InChI: InChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-8-7-9-5-4-6-10(14)11(9)15/h4-6H,7-8,14H2,1-3H3
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