diethyl 2-acetamido-2-(1H-indol-3-ylmethyl)propanedioate

Names

[ CAS No. ]:
5379-97-5

[ Name ]:
diethyl 2-acetamido-2-(1H-indol-3-ylmethyl)propanedioate

[Synonym ]:
Acetylamino-indol-3-ylmethyl-malonsaeure-diaethylester
acetylamino-indol-3-ylmethyl-malonic acid diethyl ester

Chemical & Physical Properties

[ Density]:
1.238g/cm3

[ Boiling Point ]:
551.3ºC at 760 mmHg

[ Molecular Formula ]:
C18H22N2O5

[ Molecular Weight ]:
346.37800

[ Flash Point ]:
287.2ºC

[ Exact Mass ]:
346.15300

[ PSA ]:
97.49000

[ LogP ]:
2.10240

[ Index of Refraction ]:
1.573

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TY1700000
CHEMICAL NAME :
Propanedioic acid, (acetylamino)(1H-indol-3-ylmethyl)-, diethyl ester
CAS REGISTRY NUMBER :
5379-97-5
BEILSTEIN REFERENCE NO. :
0338581
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H22-N2-O5
MOLECULAR WEIGHT :
346.42

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 :
>692 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 94,1620,1974

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Gramine
  • Diethyl acetamidomalonate
  • diethyl 2-acetamido-2-[3-(phenylhydrazinylidene)propyl]propanedioate
  • Indole
  • 3-(tert-butyliminomethine)indole
  • 1H-indol-3-ylmethyl-trimethyl-azanium
  • sodium salt of diethyl acetamidomalonate

DownStream

  • 1-methyl-3,4-dihydro-beta-carboline-3-carboxylic acid
  • (Rac)-Indoximod
  • DL-Tryptophan
  • Propanedioic acid, 2-(acetylamino)-2-[(1-methyl-1H-indol-3-yl)methyl]-,1,3-diethyl ester
  • ethyl 2-acetamido-3-(1H-indol-3-yl)propanoate

Related Compounds

  • 6-chloro-1-cyclopropyl-1H-1,2,3-benzotriazole-5-carboxylic acid
  • 1-Cyclobutyl-6-chloro-1H-benzotriazole-5-carboxylic acid
  • 1-cyclopropyl-6-fluoro-1H-1,2,3-benzotriazole-5-carboxylic acid
  • 4-(Heptylamino)-3-nitrobenzoic acid
  • 6-Fluoro-1-(2,2,2-trifluoroethyl)benzotriazole-5-carboxylic acid
  • 4-Thiazolecarboxamide, 2-amino-N-butyl-N-methyl-
  • N-Cyclopropyl-4-methyl-2-(2-methylpropyl)-5-thiazolemethanamine
  • tert-butyl ((3S,4S)-1-benzyl-4-fluoropiperidin-3-yl)carbamate
  • 2-(Tetrahydrofuran-3-yl)pyrrolidine
  • 4-[5-(Difluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine
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