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CAS Number: 111258-23-2
methyl 4-methoxy-1H-indole-2-carboxylate

Structure

methyl 4-methoxy-1H-indole-2-carboxylate
Name: methyl 4-methoxy-1H-indole-2-carboxylate
Synonyms:
General Information
Product Number: 111258232
CAS Registry Number: 111258-23-2
Name:
        1H-​Indole-​2-​carboxylic acid, 4-​methoxy-​, methyl ester
        4-​Methoxy-​1H-​indole-​2-​carboxylic acid methyl ester; 4-​Methyloxy-​1H-​indole-​2-​carboxylic acid methyl ester; Methyl 4-​methoxy-​1H-​indole-​2-​carboxylate; Methyl 4-​methoxy-​2-​indolecarboxylate 
 
Chemical Formula: C11H11NO3
Exact Mass: 205.07
Molecular Weight: 205.21
m/z: 205.07 (100.0%), 206.08 (12.1%), 207.08 (1.3%)
Elemental Analysis: C, 64.38; H, 5.40; N, 6.83; O, 23.39
 
InChI: InChI=1S/C11H11NO3/c1-14-10-5-3-4-8-7(10)6-9(12-8)11(13)15-2/h3-6,12H,1-2H3
InChIKey: GLCZQTLCVLVFGV-UHFFFAOYSA-N
Canonical SMILES : COC1=CC=CC2=C1C=C(N2)C(=O)OC
 
Thermal Properties Value Condition Note
Melting Point 143.5 °C   (5)CAS
Melting Point 143.3-145.5 °C Solv: toluene (108-88-3) (6)CAS
Melting Point 143-144 °C   (2)CAS
Melting Point 142.3-142.8 °C   (1)CAS
 

Specification

98%

References
  1. (1) Bonnamour, Julien; Organic Letters 2011, V13(8), P2012-2014 CAPLUS
  2. (2) Coowar, Djalil; Journal of Medicinal Chemistry 2004, V47(25), P6270-6282 CAPLUS
  3. (3) Stokes, Benjamin J.; Journal of the American Chemical Society 2007, V129(24), P7500-7501 CAPLUS
  4. (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  5. (5) Blaikie, K. G.; Journal of the Chemical Society, Transactions 1924, V125, P296-335 CAPLUS
  6. (6) Tullberg, Erik; Synthesis 2006, (7), P1183-1189 CAPLUS
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