4-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)butanoic acid

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Names

[ CAS No. ]:
3130-75-4

[ Name ]:
4-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)butanoic acid

[Synonym ]:
MFCD00196079
4-(1,3-dioxoisoindol-2-yl)butanoic acid
4-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)BUTANOIC ACID
2H-Isoindole-2-butanoic acid, 1,3-dihydro-1,3-dioxo-
4-Phthalimidobutyric Acid

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
442.1±28.0 °C at 760 mmHg

[ Melting Point ]:
119-121ºC

[ Molecular Formula ]:
C12H11NO4

[ Molecular Weight ]:
233.220

[ Flash Point ]:
221.2±24.0 °C

[ Exact Mass ]:
233.068802

[ PSA ]:
74.68000

[ LogP ]:
1.58

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.605

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NR3459000
CHEMICAL NAME :
2-Isoindolinebutyric acid, 1,3-dioxo-
CAS REGISTRY NUMBER :
3130-75-4
BEILSTEIN REFERENCE NO. :
0208243
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H11-N-O4
MOLECULAR WEIGHT :
233.24
WISWESSER LINE NOTATION :
T56 BVNVJ C3VQ

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 :
327 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
IJEBA6 Indian Journal of Experimental Biology. (Publications & Information Directorate, CSIR, Hillside Rd., New Delhi 110 012, India) V.1- 1963- Volume(issue)/page/year: 27,805,1989 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
400 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 28,680,1973

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ HS Code ]:
2925190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Phthalic anhydride
  • 4-Aminobutanoic acid
  • 4-Chlorobutyric acid
  • Potassium phthalimide
  • N-carbethoxyphthalimide
  • N-phthaloyl-L-glutamic acid
  • Phthalic acid
  • N-(2-Oxoethyl)phthalimide
  • (Z)-4-phthalimidocrotonic acid

DownStream

  • 2-(5-bromo-4-oxopentyl)isoindole-1,3-dione
  • 2-BROMO-4-(1,3-DIOXOISOINDOLIN-2-YL)BUTANOIC ACID
  • 1-(2-Phthalimidobutanoyl)chloride
  • 4-(1,3-dioxoisoindol-2-yl)butanamide
  • 4-(1,3-DIOXOISOINDOLIN-2-YL)BUTANAL
  • 2H-Isoindole-2-propanenitrile,1,3-dihydro-1,3-dioxo-
  • 4-Aminobutanoic acid
  • 1-diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate
  • 4-amino-2-bromobutanoic acid,hydrobromide
  • 3-Bromopyrrolidin-2-one

Customs

[ HS Code ]: 2925190090

[ Summary ]:
2925190090 other imides and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%