中文版English

CAS Number: 835-45-0
4-(1H-indol-3-yl)-4-oxobutanoic acid

Structure

4-(1H-indol-3-yl)-4-oxobutanoic acid
Name: 4-(1H-indol-3-yl)-4-oxobutanoic acid
Synonyms:
General Information
Product Number: 835450
CAS Registry Number: 835-45-0
Name:
1H-​Indole-​3-​butanoic acid, γ-​oxo-
Indole-​3-​butyric acid, γ-​oxo- (6CI,​7CI,​8CI); γ-​Oxoindole-​3-​butyric acid 
 
Chemical Formula: C12H11NO3
Exact Mass: 217.07
Molecular Weight: 217.22
m/z: 217.07 (100.0%), 218.08 (13.2%), 219.08 (1.4%)
Elemental Analysis: C, 66.35; H, 5.10; N, 6.45; O, 22.10
 
InChI: InChI=1S/C12H11NO3/c14-11(5-6-12(15)16)9-7-13-10-4-2-1-3-8(9)10/h1-4,7,13H,5-6H2,(H,15,16)
InChIKey: NLUOPJQCFYTMGC-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)C(=CN2)C(=O)CCC(=O)O
 
Thermal Properties Value Condition Note
Melting Point 241-242 °C Solv: ethanol (64-17-5) (2)IC
Melting Point 240-241 °C   (3)CAS
Melting Point 236 °C   (4)CAS
Melting Point 235-237 °C   (5)CAS
Melting Point 235 °C   (6)CAS
Melting Point 235 °C Solv: ethyl acetate (141-78-6) (7)CAS
Melting Point 130 °C   (8)CAS

Specification

98%

References
  1. (1) Thompson, Mark J.; ChemMedChem 2011, V6(1), P115-130 CAPLUS
  2. (2) Ibaceta-Lizana, Juana S. L.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) 1987, (9), P1221-6 CAPLUS
  3. (3) Kost, A. N.; Zhurnal Obshchei Khimii 1964, V34(9), P2989-92 CAPLUS
  4. (4) Ballantine, J. A.; Journal of the Chemical Society 1960, P2292-9 CAPLUS
  5. (5) Szmuszkovicz, J.; Journal of the American Chemical Society 1960, V82, P1180-6 CAPLUS
  6. (6) Eraksina, V. N.; Khimiya Geterotsiklicheskikh Soedinenii 1966, (2), P226-32 CAPLUS
  7. (7) Ballantine, J. A.; Journal of the Chemical Society 1957, P2227-31 CAPLUS
  8. (8) Hauptmann, Siegfried; Journal fuer Praktische Chemie (Leipzig) 1966, V34(5-6), P272-82 CAPLUS
Contact Us
TEL:  86-17758012822
FAX:  86-571-87759731
E-mail:sales@hzchempro.com
[ CLOSE ]