N-Carbethoxyphthalimide

C11H9NO4CAS 22509-74-6219.20 g/mol

Open in Covalent MOL file
OONOO
AmideCarbamateLactam

Properties

Molecular formula
C11H9NO4
Molar mass
219.20 g/mol
Exact mass
219.0532 Da
Melting point
90–92 °C
logP
1.44Crippen estimate
Polar surface area
63.7 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 36 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P333+P317, P362+P364, P501

Identifiers

CAS number
22509-74-6
SMILES
CCOC(=O)N1C(=O)c2ccccc2C1=O
InChIKey
VRHAQNTWKSVEEC-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO4/c1-2-16-11(15)12-9(13)7-5-3-4-6-8(7)10(12)14/h3-6H,2H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • 2H-Isoindole-2-carboxylic acid, 1,3-dihydro-1,3-dioxo-, ethyl ester
  • 2-Isoindolinecarboxylic acid, 1,3-dioxo-, ethyl ester
  • Ethyl N-phthaloylcarbamate
  • N-(Ethoxycarbonyl)phthalimide
  • N-Carboethoxyphthalimide
  • Nefkens' reagent
  • 2-(Carbethoxy)phthalimide
  • Reagents, nefkens'
  • Carbethoxyphthalimide
  • NSC 76576
  • Ethyl 1,3-dioxo-1,3-dihydro-2H-isoindole-2-carboxylate
  • Ethyl 1,3-dioxo-1,3-dihydroisoindole-2-carboxylate
  • 1,3-Dioxo-1,3-dihydroisoindole-2-carboxylic acid ethyl ester
  • Ethyl 1,3-dioxoisoindoline-2-carboxylate
  • Ethyl 1,3-dioxo-2,3-dihydro-1H-isoindole-2-carboxylate
  • 1,3-Dioxoisoindoline-2-carboxylic acid ethyl ester

Work with N-Carbethoxyphthalimide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl phthalimidomalonate5680-61-556 % similar Ethyl N,N-diphenylcarbamate603-52-156 % similar Diethyl phthalate84-66-253 % similar Ethyl methyl(phenyl)carbamate2621-79-653 % similar Phthalimidoacetaldehyde diethyl acetal78902-09-751 % similar Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate33512-26-449 % similar Ethyl 2-iodobenzoate1829-28-349 % similar N-Acetylphthalimide1971-49-949 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Dihydro-α-methyl-1,3-dioxo-2H-isoindole-2-acetic acid21860-84-4 2,5-Dioxopyrrolidin-1-yl benzoate23405-15-4 4-Hydroxy-6-methoxyquinoline-3-carboxylic acid28027-16-9 5-(4-Nitrophenyl)furfuryl alcohol33342-30-2 N-Phthaloyl-β-alanine3339-73-9 Pht-ala-oh4192-28-3 3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid618383-47-4

Elsewhere

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