1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 1,1-dimethylethyl carbonate

C₁₃H₁₃NO₅CAS 15263-20-4263.25 g/mol

Open in Covalent MOL file

Amide Carbonate Lactam

Properties

Molecular formula: C₁₃H₁₃NO₅
Molar mass: 263.25 g/mol
Exact mass: 263.0794 Da
Melting point: 118 °C (decomposes)
logP: 2.15Crippen estimate
Polar surface area: 72.9 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 1

Identifiers

CAS number

15263-20-4

SMILES

CC(C)(C)OC(=O)ON1C(=O)c2ccccc2C1=O

InChIKey

MCWXBNWFVFOQAS-UHFFFAOYSA-N

InChI

InChI=1S/C13H13NO5/c1-13(2,3)18-12(17)19-14-10(15)8-6-4-5-7-9(8)11(14)16/h4-7H,1-3H3

Weigh it out

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

Names and synonyms

5 names

Carbonic acid, 1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl 1,1-dimethylethyl ester
Phthalimide, N-(carboxyoxy)-, tert-butyl ester
1H-Isoindole-1,3(2H)-dione, 2-[[(1,1-dimethylethoxy)carbonyl]oxy]-
Carbonic acid, mono-tert-butyl ester, O-phthalimido deriv.
N-(tert-Butoxycarbonyloxy)-phthalimide

Work with 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 1,1-dimethylethyl carbonate

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

tert-Butyl succinimidyl carbonate13139-12-351 % similar tert-Butyl phenyl carbonate6627-89-050 % similar 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile58632-95-443 % similar N-Methylphthalimide550-44-742 % similar Di-tert-butyl dicarbonate24424-99-541 % similar 2-(2-Propyn-1-yloxy)-1H-isoindole-1,3(2H)-dione4616-63-140 % similar N-Isopropylphthalimide304-17-638 % similar 2-Ethyl-1H-isoindole-1,3(2H)-dione5022-29-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-F]indolizine-3,6,10(4H)-trione110351-94-5 γ-Benzyl L-glutamate N-carboxyanhydride3190-71-4 1-(Phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate32159-21-0 N-Succinimidyl 3-(4-hydroxyphenyl)propionate34071-95-9

Elsewhere

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