tert-Butyl diazoacetate

C₆H₁₀N₂O₂CAS 35059-50-8142.16 g/mol

Open in Covalent MOL file

Ester Imine

Properties

Molecular formula: C₆H₁₀N₂O₂
Molar mass: 142.16 g/mol
Exact mass: 142.0742 Da
logP: 0.63Crippen estimate
Polar surface area: 62.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H350 May cause cancer100% of notifiers
H361 Suspected of damaging fertility or the unborn child100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

35059-50-8

SMILES

CC(C)(C)OC(=O)C=[N+]=[N-]

InChIKey

JBVSBLLOZVDAAZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H10N2O2/c1-6(2,3)10-5(9)4-8-7/h4H,1-3H3

Weigh it out

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

Names and synonyms

8 names

tert-Butyl 2-diazoacetate
t-Butyl diazoacetate
tert-Butyl Diazoacetate, 85per cent
(tert-Butoxycarbonyl)diazomethane
tert-Butyl-diazoacetate
2-Diazo-acetic Acid 1,1-Dimethylethyl Ester
Diazo-acetic acid tert-butyl ester
1-tert-Butoxy-2-diazonioethen-1-olate

Reactions

t-BUTYL DIAZOACETATE (Acetic acid, diazo-, tert-butyl ester)product

Work with tert-Butyl diazoacetate

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 acrylate1663-39-450 % similar Ethyl diazoacetate623-73-450 % similar tert-Butoxycarbonyl azide1070-19-541 % similar tert-Butyl (triphenylphosphoranylidene) acetate35000-38-539 % similar Di-tert-butyl dicarbonate24424-99-537 % similar tert-Butyl acetate540-88-537 % similar tert-Butyl trimethylacetate16474-43-435 % similar 1,3-Bis(1,1-dimethylethyl) propanedioate541-16-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Ethyl-5-methylhydantoin16820-12-5 5-Isopropylhydantoin16935-34-5 1,4-Piperazinedicarboxaldehyde4164-39-0 Nioxime492-99-9 Sarcosine anhydride5076-82-4 1-Ethyl-2,3-piperazinedione59702-31-7 1,5,5-Trimethyl-2,4-imidazolidinedione6851-81-6 Piracetam7491-74-9

Elsewhere

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