Kainic acid

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Names

[ CAS No. ]:
487-79-6

[ Name ]:
Kainic acid

[Synonym ]:
KAINATE
helminal
kainic acid
Kainic
digenin
Dihydroergocristine mesylate
(3S,4S)-3-(Carboxymethyl)-4-isopropenyl-L-proline
digenicacid
(−)-Kainic Acid
L-Proline, 3-(carboxymethyl)-4-(1-methylethenyl)-, (3S,4S)-

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
439.9±45.0 °C at 760 mmHg

[ Melting Point ]:
253-254ºC

[ Molecular Formula ]:
C₁₀H₁₅NO₄

[ Molecular Weight ]:
213.230

[ Flash Point ]:
219.8±28.7 °C

[ Exact Mass ]:
213.100113

[ PSA ]:
86.63000

[ LogP ]:
0.50

[ Vapour Pressure ]:
0.0±2.3 mmHg at 25°C

[ Index of Refraction ]:
1.509

[ Storage condition ]:
2-8℃

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UX9665250

CHEMICAL NAME :: 3-Pyrrolidineacetic acid, 2-carboxy-4-isopropenyl-

CAS REGISTRY NUMBER :: 487-79-6

BEILSTEIN REFERENCE NO. :: 0086660

LAST UPDATED :: 199709

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C10-H15-N-O4

MOLECULAR WEIGHT :: 213.26

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 32 mg/kg

TOXIC EFFECTS :: Brain and Coverings - other degenerative changes Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 3 mg/kg

SEX/DURATION :: female 14 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) Reproductive - Effects on Newborn - behavioral

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 3 mg/kg

SEX/DURATION :: female 17-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) Reproductive - Effects on Newborn - behavioral

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 3 mg/kg

SEX/DURATION :: female 19 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

MUTATION DATA

TEST SYSTEM :: Rodent - mouse

DOSE/DURATION :: 12 mg/kg

REFERENCE :: FOBGA8 Folia Biologica (Krakow). (Ars Polona, POB 1001, 00-068 Warsaw 1, Poland) V.1- 1953- Volume(issue)/page/year: 36,103,1988

Safety Information

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
22-24/25-36

[ RTECS ]:
UX9665250

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

(2S,3S,4S)-4-isopropenyl-3-methoxycarbonylmethyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
ethyl 2-((2R,3S,4S)-2-cyano-4-(prop-1-en-2-yl)pyrrolidin-3-yl)acetate
di-tert-butyl (2S,3S,4S)-3-((tert-butoxycarbonyl)methyl)-4-((E)-1-(tributylstannyl)prop-1-en-2-yl)pyrrolidine-1,2-dicarboxylate
(2S,3S,4S)-methyl 3-(2-(dimethylamino)-2-oxoethyl)-4-(prop-1-en-2-yl)-1-(2,2,2-trichloroacetyl)pyrrolidine-2-carboxylate
(R)-benzyl (1-(benzyloxy)-3-oxopropan-2-yl)(3-methylbut-2-en-1-yl)carbamate