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

Modify Date: 2025-09-21 23:49:48

diethyl 2-acetamido-2-(1H-indol-3-ylmethyl)propanedioate structure	Common Name	diethyl 2-acetamido-2-(1H-indol-3-ylmethyl)propanedioate
	CAS Number	5379-97-5	Molecular Weight	346.37800
	Density	1.238g/cm3	Boiling Point	551.3ºC at 760 mmHg
	Molecular Formula	C₁₈H₂₂N₂O₅	Melting Point	N/A
	MSDS	N/A	Flash Point	287.2ºC

Name	diethyl 2-acetamido-2-(1H-indol-3-ylmethyl)propanedioate
Synonym	More Synonyms

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
InChIKey	MTHSUWOVPABBJP-UHFFFAOYSA-N
SMILES	CCOC(=O)C(Cc1c[nH]c2ccccc12)(NC(C)=O)C(=O)OCC

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

Gramine

CAS#:87-52-5

Diethyl acetami...

CAS#:1068-90-2

~99%

diethyl 2-aceta...

CAS#:5379-97-5

Literature: Somei, Masanori; Karasawa, Yoshio; Kaneko, Chikara Heterocycles, 1981 , vol. 16, # 6 p. 941 - 949

diethyl 2-aceta...

CAS#:6297-96-7

diethyl 2-aceta...

CAS#:5379-97-5

Literature: Dow Chem. Co. Patent: US2701800 , 1951 ;

Indole

CAS#:120-72-9

diethyl 2-aceta...

CAS#:5379-97-5

Literature: Snyder; Matteson Journal of the American Chemical Society, 1957 , vol. 79, p. 2217,2219

3-(tert-butylim...

CAS#:22687-14-5

Diethyl acetami...

CAS#:1068-90-2

diethyl 2-aceta...

CAS#:5379-97-5

Literature: Snyder; Matteson Journal of the American Chemical Society, 1957 , vol. 79, p. 2217,2219

1H-indol-3-ylme...

CAS#:5457-31-8

sodium salt of ...

CAS#:30412-43-2

diethyl 2-aceta...

CAS#:5379-97-5

Literature: Snyder; Smith Journal of the American Chemical Society, 1944 , vol. 66, p. 350

Diethyl acetami...

CAS#:1068-90-2

diethyl 2-aceta...

CAS#:5379-97-5

Literature: Chibata; Yamada Bulletin of the Agricultural Chemical Society of Japan, 1957 , vol. 21, p. 58

Precursor 7
CAS#:87-52-5 Gramine CAS#:1068-90-2 Diethyl acetami... CAS#:6297-96-7 diethyl 2-aceta... CAS#:120-72-9 Indole
CAS#:22687-14-5 3-(tert-butylim... CAS#:5457-31-8 1H-indol-3-ylme... CAS#:30412-43-2 sodium salt of ...
DownStream 5
CAS#:10022-82-9 1-methyl-3,4-di... CAS#:26988-72-7 (Rac)-Indoximod CAS#:54-12-6 DL-Tryptophan CAS#:6976-19-8 Propanedioic ac...
CAS#:42717-06-6 ethyl 2-acetami...