Di-tert-butyl dicarbonate

C₁₀H₁₈O₅CAS 24424-99-5218.25 g/mol

Open in Covalent MOL file

Acid anhydride Carbonate

Properties

Molecular formula: C₁₀H₁₈O₅
Molar mass: 218.25 g/mol
Exact mass: 218.1154 Da
Boiling point: 64–67 °C (at 1 Torr)
logP: 2.87Crippen estimate
Polar surface area: 61.8 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor26.8% of notifiers
H226 Flammable liquid and vapor60.7% of notifiers
H228 Flammable solid22.4% of notifiers
H315 Causes skin irritation98.9% of notifiers
H317 May cause an allergic skin reaction97.3% of notifiers
H318 Causes serious eye damage27.9% of notifiers
H319 Causes serious eye irritation71% of notifiers
H330 Fatal if inhaled98.4% of notifiers
H335 May cause respiratory irritation67.8% of notifiers

Aggregated from 183 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

24424-99-5

SMILES

CC(C)(C)OC(=O)OC(=O)OC(C)(C)C

InChIKey

DYHSDKLCOJIUFX-UHFFFAOYSA-N

InChI

InChI=1S/C10H18O5/c1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h1-6H3

Weigh it out

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

Names and synonyms

15 names · show all

Dicarbonic acid, 1,3-bis(1,1-dimethylethyl) ester
Formic acid, oxydi-, di-tert-butyl ester
Dicarbonic acid, bis(1,1-dimethylethyl) ester
Pyrocarbonic acid di-tert-butyl ester
Di-tert-butyl pyrocarbonate
Bis(1,1-dimethylethyl) dicarbonate
Di-tert-butyl oxydiformate
BOC-anhydride
(Boc)2O
tert-Butyl dicarbonate
tert-Butoxycarbonyl anhydride
Bis(tert-butyl) dicarbonate
Bis(tert-butoxycarbonyl) ether
tert-Butoxycarbonyl tert-butyl carbonate
tert-Butoxycarboxylic anhydride

Reactions

DI-tert-BUTYL DICARBONATE (Dicarbonic acid, bis(1,1-dimethylethyl) ester)product

Work with Di-tert-butyl dicarbonate

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 carbonate13139-12-350 % similar tert-Butyl phenyl carbonate6627-89-048 % similar N,O-Bis(tert-butoxycarbonyl)hydroxylamine85006-25-348 % similar Dimethyl dicarbonate4525-33-148 % similar tert-Butyl propionate20487-40-542 % similar 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 1,1-dimethylethyl carbonate15263-20-441 % similar tert-Butyl chloroacetate107-59-541 % similar tert-Butyl acrylate1663-39-441 % similar

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

Elsewhere

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