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41042-21-1

41042-21-1 structure
41042-21-1 structure

Name ethyl 2-(2,3-dioxoindol-1-yl)acetate
Synonyms 2,3-Dioxo-1-indolineacetic acid ethyl ester
ethyl (2,3-dioxo-2,3-dihydroindol-1-yl)acetate
(2,3-dioxo-indolin-1-yl)-acetic acid ethyl ester
1-Indolineacetic acid,2,3-dioxo-,ethyl ester
ethyl 2-(2,3-dioxoindolin-1-yl)acetate
Ethyl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate
(1-ethoxycarbonylmethyl)isatin
(2,3-dioxo-2,3-dihydro-indol-1-yl)acetic acid ethyl ester
INDOLINE-1-ACETIC ACID,2,3-DIOXO-,ETHYL ESTER
N-carbethoxymethylisatin
Density 1.32g/cm3
Boiling Point 381.7ºC at 760mmHg
Molecular Formula C12H11NO4
Molecular Weight 233.22000
Flash Point 184.7ºC
Exact Mass 233.06900
PSA 63.68000
LogP 0.84400
Index of Refraction 1.57

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NM1891840
CHEMICAL NAME :
Indoline-1-acetic acid, 2,3-dioxo-, ethyl ester
CAS REGISTRY NUMBER :
41042-21-1
BEILSTEIN REFERENCE NO. :
0218567
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H11-N-O4
MOLECULAR WEIGHT :
233.24
WISWESSER LINE NOTATION :
T56 BNVVJ B1VO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
664 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 15,858,1981
HS Code 2933990090

~99%

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Literature: Loetter, Angelique N.C.; Pathak, Rakhi; Sello, Thato S.; Fernandes, Manuel A.; van Otterlo, Willem A.L.; de Koning, Charles B. Tetrahedron, 2007 , vol. 63, # 10 p. 2263 - 2274

~76%

41042-21-1 structure

41042-21-1

Literature: Shmidt, Maria Sol; Reverdito, Ana Maria; Kremenchuzky, Lautaro; Perillo, Isabel Amalia; Blanco, Maria Mercedes Molecules, 2008 , vol. 13, # 4 p. 831 - 840

~67%

41042-21-1 structure

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Literature: Ilangovan, Andivelu; Satish, Gandhesiri Journal of Organic Chemistry, 2014 , vol. 79, # 11 p. 4984 - 4991

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41042-21-1 structure

41042-21-1

Literature: Schering Agrochemicals Limited Patent: US5093364 A1, 1992 ;

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Literature: Muthusamy; Babu, S. Arulananda; Nethaji Tetrahedron, 2003 , vol. 59, # 41 p. 8117 - 8127

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41042-21-1

Literature: Putochin Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, 1928 , vol. 60, p. 1188 Chem. Zentralbl., 1929 , vol. 100, # I p. 999 Full Text Show Details Ainley; Robinson Journal of the Chemical Society, 1934 , p. 1508,1517

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41042-21-1 structure

41042-21-1

Literature: Putochin Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, 1928 , vol. 60, p. 1188 Chem. Zentralbl., 1929 , vol. 100, # I p. 999 Full Text Show Details Ainley; Robinson Journal of the Chemical Society, 1934 , p. 1508,1517

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41042-21-1 structure

41042-21-1

Literature: Mesropyan; Ambartsumyan; Avetisyan; Sarkisyan; Amazaspyan Russian Journal of Organic Chemistry, 2001 , vol. 37, # 10 p. 1476 - 1477

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41042-21-1

Literature: Steinkopf; Hempel Justus Liebigs Annalen der Chemie, 1932 , vol. 495, p. 144,162
HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%