Isatoic anhydride

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Names

[ CAS No. ]:
118-48-9

[ Name ]:
Isatoic anhydride

[Synonym ]:
2H-3,1-Benzoxazine-2,4(1H)-dione
Anthranilic acid N-carboxylic acid anhydride
Isatoic anhydride
3,1-Benzoxazine-2,4(1H)-dione
1H-3,1-benzoxazine-2,4-dione
1H-Benzo[d][1,3]oxazine-2,4-dione
Isatoic acid anhydride
T66 BMVOVJ
Benzoic acid, 2-(carboxyamino)-, cyclic anhydride
Benzoxazinedione
Anthranilic acid, N-carboxy-, cyclic anhydride
MFCD00006700
EINECS 204-255-0

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Melting Point ]:
233 °C (dec.)(lit.)

[ Molecular Formula ]:
C8H5NO3

[ Molecular Weight ]:
163.130

[ Flash Point ]:
308 °C

[ Exact Mass ]:
163.026947

[ PSA ]:
63.07000

[ LogP ]:
0.90

[ Vapour density ]:
5.6 (vs air)

[ Index of Refraction ]:
1.586

[ Water Solubility ]:
decomposes

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM3100000
CHEMICAL NAME :
2H-3,1-Benzoxazine-2,4(1H)-dione
CAS REGISTRY NUMBER :
118-48-9
BEILSTEIN REFERENCE NO. :
0136786
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H5-N-O3
MOLECULAR WEIGHT :
163.14
WISWESSER LINE NOTATION :
T66 BMVOVJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
34800 mg/kg
SEX/DURATION :
male 8 day(s) pre-mating female 21 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
REFERENCE :
MPHEAE Medicina et Pharmacologia Experimentalis. (Basel, Switzerland) V.12-17, 1965-67. For publisher information, see PHMGBN. Volume(issue)/page/year: 15,7,1966

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H317-H319

[ Precautionary Statements ]:
P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36;R43

[ Safety Phrases ]:
S24-S26-S37

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
1

[ RTECS ]:
DM3100000

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Triphosgene
  • Anthranilic acid
  • Diphosgene
  • isatin
  • Indole-3-carboxaldehyde
  • Indole
  • indigo dye
  • 2-Carbamoylbenzoic acid
  • Carbon dioxide

DownStream

  • Phenyl anthranilate
  • 1-(2-aminophenyl)cyclohexan-1-ol
  • 3-(3-imidazol-1-ylpropyl)quinazolin-4-one
  • 4-[(2-aminobenzoyl)amino]butanoic acid
  • Benzamide,2-amino-N-butyl-
  • 3'-n-butyl-1'H-spiro[indoline-3,2'-quinazoline]-2,4'(3'H)-dione
  • 1-benzyl-4-hydroxyquinolin-2-one
  • 2-amino-4'-methylbenzophenone
  • N-Benzylisatoic anhydride
  • 3-Methyl-2,4(1H, 3H)-quinazolinedione

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

Hydrogen-bonding in 2-aminobenzoyl-alpha-chymotrypsin formed by acylation of the enzyme with isatoic anhydride: IR and mass spectroscopic studies.

ChemBioChem. 3(1) , 68-75, (2002)

The acyl-enzyme formed upon acylation of alpha-chymotrypsin with isatoic anhydride has been characterised by infrared spectroscopy. Acylation at pH 7 to yield the 2-aminobenzoyl-enzyme is rapid (k = 5...

Palladium-catalyzed decarboxylative coupling of isatoic anhydrides with arylboronic acids.

Org. Lett. 13 , 6114-6117, (2011)

The decarboxylative coupling of isatoic anhydrides with arylboronic acids was realized for the first time in the presence of Pd(2)(dba)(3) and DPEphos, achieving aryl o-aminobenzoates with yields rang...

1,3-Dipolar cycloaddition-decarboxylation reactions of an azomethine ylide with isatoic anhydrides: formation of novel benzodiazepinones.

Org. Lett. 13(3) , 486-9, (2011)

A nonstabilized azomethine ylide reacts with a wide range of substituted isatoic anhydrides to afford novel 1,3-benzodiazepin-5-one derivatives, which are generally isolated in high yield. The transfo...


More Articles

Related Compounds

  • isatoic anhydride
  • butylisatoic anhydride
  • 5-Bromoisatoic anhydride
  • N-ALLYLISATOIC ANHYDRIDE
  • 4-Chloroisatoic Anhydride
  • N-ethyl isatoic anhydride
  • 4-(1-Benzylpiperidine-4-carbonyl)thiomorpholine
  • 4-{1-[(4-Fluorophenyl)methyl]piperidine-4-carbonyl}thiomorpholine
  • 2-cyclopropyl-6-(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
  • 4-({4-[6-(4-methyl-1H-pyrazol-1-yl)pyridin-2-yl]piperazin-1-yl}methyl)benzonitrile
  • 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-[6-(4-methyl-1H-pyrazol-1-yl)pyridin-2-yl]piperazine
  • N-(5-Bromo-6-(difluoromethyl)pyrazin-2-yl)acetamide
  • N-(5-Bromo-6-formylpyrazin-2-yl)acetamide
  • 2-Amino-3-(1-fluorocyclopropyl)-2-methylpropan-1-ol
  • (3-(Methoxymethyl)pyridin-2-yl)boronic acid
  • 8-Bromo-7-chloro-2,3-dihydrobenzo[b][1,4]dioxin-6-amine
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