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CAS Number: 98081-83-5
methyl 6-methoxy-1H-indole-2-carboxylate

Structure

methyl 6-methoxy-1H-indole-2-carboxylate
Name: methyl 6-methoxy-1H-indole-2-carboxylate
Synonyms:
General Information
Product Number: 98081835

CAS Registry Number: 98081-83-5

Name:

1H-​Indole-​2-​carboxylic acid, 6-​methoxy-​, methyl ester
2-​Methoxycarbonyl-​6-​methoxy-​1H-​indole; 6-​Methoxy-​1H-​indole-​2-​carboxylic acid methyl ester; Methyl 6-​methoxy-​1H-​indole-​2-​carboxylate; Methyl 6-​methoxyindole-​2-​carboxylate 

 

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/c1-14-8-4-3-7-5-10(11(13)15-2)12-9(7)6-8/h3-6,12H,1-2H3
InChIKey: OPUUCOLVBDQWEY-UHFFFAOYSA-N
Canonical SMILES : COC1=CC2=C(C=C1)C=C(N2)C(=O)OC

 

Thermal Properties Value Condition Note
Melting Point 118.5-119.0 °C   (1)CAS
Melting Point 118-119 °C   (2)CAS
Melting Point 117-118 °C   (7)IC

 

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) Stokes, Benjamin J.; Journal of Organic Chemistry 2009, V74(17), P6442-6451 CAPLUS
  5. (5) Gim, Hyo Jin; Bioorganic & Medicinal Chemistry Letters 2011, V21(10), P3057-3061 CAPLUS
  6. (6) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  7. (7) Knittel, Dierk; Synthesis 1985, (2), P186-8 CAPLUS
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