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CAS Number: 1504-06-9
3-methylindolin-2-one

Structure

3-methylindolin-2-one
Name: 3-methylindolin-2-one
Synonyms:
General Information
Product Number: 1504069

CAS Registry Number 1504-06-9
Name:
2H-?Indol-?2-?one, 1,?3-?dihydro-?3-?methyl-
2-Indolinone, 3-methyl- (7CI,8CI)
Oxindole, 3-methyl- (6CI)
1,3-Dihydro-3-methyl-2H-indol-2-one
3-Methyl-2-indolinone
3-Methyl-2-oxindole

 

Chemical Formula: C9H9NO
Exact Mass: 147.07
Molecular Weight: 147.17
m/z: 147.07 (100.0%), 148.07 (10.2%)

 

InChI:InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-6H,1H3,(H,10,11)

InChI Key:BBZCPUCZKLTAJQ-UHFFFAOYSA-N

Canonical SMILES:CC1C2=CC=CC=C2NC1=O

 

Thermal Properties Value Condition Note
Melting Point 124 °C   (13)IC
Melting Point 123-124 °C   (14)CAS
Melting Point 123-124 °C   (15)CAS
Melting Point 123-124 °C   (11)IC
Melting Point 120-121 °C   (16)IC
Melting Point 120-121 °C Solv: ethyl ether (60-29-7); hexane (110-54-3) (17)IC

Specification

98%

References
  1. (7) RajanBabu, T. V.; Journal of Organic Chemistry 1986, V51(10), P1704-12 CAPLUS
  2. (8) Wolff, Jens; Tetrahedron 1986, V42(15), P4267-72 CAPLUS
  3. (9) Chien, Chun Sheng; Chemical & Pharmaceutical Bulletin 1984, V32(10), P3945-51 CAPLUS
  4. (11) Kende, Andrew S.; Synthetic Communications 1982, V12(1), P1-10 CAPLUS
  5. (13) Otomasu, Hirotaka; Chemical & Pharmaceutical Bulletin 1975, V23(7), P1436-9 CAPLUS
  6. (14) Horner, Leopold; Justus Liebigs Annalen der Chemie 1941, V548, P117-46 CAPLUS
  7. (15) Behringer, Hans; Chemische Berichte 1952, V85, P743-51 CAPLUS
  8. (16) Goehring, R. Richard; Journal of the American Chemical Society 1985, V107(2), P435-43 CAPLUS
  9. (17) Wolfe, James F.; Journal of the American Chemical Society 1980, V102(10), P3646-7 CAPLUS
  10. (18) Tanaka, Hideo; Bulletin of the Chemical Society of Japan 1989, V62(12), P4061-2 CAPLUS
  11. (19) Smith, Francis; Synthetic Communications 2006, V36(6), P765-769 CAPLUS
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