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CAS Number: 18372-22-0
methyl 2-(1H-indol-3-yl)-2-oxoacetate

Structure

methyl 2-(1H-indol-3-yl)-2-oxoacetate
Name: methyl 2-(1H-indol-3-yl)-2-oxoacetate
Synonyms:
General Information
Product Number: 18372220
CAS Registry Number: 18372-22-0
Name:
1H-​Indole-​3-​acetic acid, α-​oxo-​, methyl ester
Indole-​3-​glyoxylic acid, methyl ester (6CI,​7CI,​8CI); (1H-​Indol-​3-​yl)​(oxo)​acetic acid methyl ester; 2-​(1H-​Indol-​3-​yl)​-​2-​oxoacetic acid methyl ester; Methyl 2-​(1H-​indol-​3-​yl)​-​2-​oxoacetate; Methyl 2-​(3-​indolyl)​glyoxylate; Methyl 2-​(indol-​3-​yl)​-​2-​oxoacetate; Methyl 3-​indoleglyoxylate 
 
Chemical Formula: C11H9NO3
Exact Mass: 203.06
Molecular Weight: 203.19
m/z: 203.06 (100.0%), 204.06 (12.5%), 205.06 (1.3%)
Elemental Analysis: C, 65.02; H, 4.46; N, 6.89; O, 23.62
 
InChI: InChI=1S/C11H9NO3/c1-15-11(14)10(13)8-6-12-9-5-3-2-4-7(8)9/h2-6,12H,1H3
InChIKey: VFIJGAWYVXDYLK-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C(=O)C1=CNC2=CC=CC=C21
 
Thermal Properties Value Condition Note
Melting Point 234-236 °C Solv: methanol (67-56-1) (6)IC
Melting Point 228 °C (decomp)   (3)CAS
Melting Point 220-222 °C   (7)CAS
Melting Point 214 °C   (8)CAS
Melting Point 160 °C (decomp)   (9)CAS
Melting Point 160 °C (decomp)   (10)CAS

Specification

98%

References
  1. (1) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
  2. (2) Bao, Baoquan; Marine Drugs 2007, V5(2), P31-39 CAPLUS
  3. (3) Carmen de la Fuente, M.; Tetrahedron 2011, V67(22), P3997-4001 CAPLUS
  4. (4) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  5. (5) Ilovich, Ohad; Bioorganic & Medicinal Chemistry 2010, V18(2), P612-620 CAPLUS
  6. (6) Barton, Derek H. R.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1977, (23), P2604-8 CAPLUS
  7. (7) Majima, Riko; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1924, V57B, P1453-6 CAPLUS
  8. (8) Elderfield, Robert C.; Journal of Organic Chemistry 1958, V23, P949-53 CAPLUS
  9. (9) Wang, Min; Nuclear Medicine and Biology 2010, V37(7), P763-775 CAPLUS
  10. (10) Wang, Min; Bioorganic & Medicinal Chemistry Letters 2011, V21(1), P245-249 CAPLUS
  11. (11) Wang, Min; Bioorganic & Medicinal Chemistry Letters 2011, V21(6), P1649-1653 CAPLUS
  12. (12) GB 778823 1957 CAPLUS
  13. (13) Baker, John W.; Journal of the Chemical Society 1940, P458-60 CAPLUS
  14. (14) Nakazono, Manabu; Analytical Sciences 2003, V19(1), P123-127 CAPLUS
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