ChemicalBook--->CAS DataBase List--->1002355-96-5

1002355-96-5

1002355-96-5 Structure

1002355-96-5 Structure
IdentificationBack Directory
[Name]

3-Ethoxycarbonylmethylene-azetidine-1-carboxylic acid tert-butyl ester
[CAS]

1002355-96-5
[Synonyms]

1-Boc-3-ethoxycarbonylMethylene-azetidine
Ethyl 2-(1-Boc-azetidin-3-ylidene)acetate
1-Boc-3-(2-ethoxy-2-oxoethylidene)azetidine
1-(tert-Butoxycarbonyl)-3-(2-ethoxy-2-oxoethylidene)azetidine
tert-Butyl 3-(2-ethoxy-2-oxoethylidene)azetidine-1-carboxyla...
tert-Butyl 3-(2-ethoxy-2-oxoethylidene)azetidine-1-carboxylate 95%
3-Ethoxycarbonylmethylene-azetidine-1-carboxylic acid tert-butyl este
3-Ethoxycarbonylmethylene-azetidine-1-carboxylic acid tert-butyl ester
3-(2-Ethoxy-2-oxoethylidene)azetidine-1-carboxylic Acid tert-Butyl Ester
1-Azetidinecarboxylic acid, 3-(2-ethoxy-2-oxoethylidene)-, 1,1-dimethylethyl ester
[Molecular Formula]

C12H19NO4
[MDL Number]

MFCD16140210
[MOL File]

1002355-96-5.mol
[Molecular Weight]

241.284
Chemical PropertiesBack Directory
[Boiling point ]

319.5±35.0 °C(Predicted)
[density ]

1.188
[refractive index ]

n20/D1.474
[Fp ]

>110℃
[storage temp. ]

2-8°C
[form ]

clear liquid
[pka]

-1.67±0.20(Predicted)
[color ]

White to Light yellow
[InChI]

1S/C12H19NO4/c1-5-16-10(14)6-9-7-13(8-9)11(15)17-12(2,3)4/h6H,5,7-8H2,1-4H3
[InChIKey]

WYWJZDFQQJTRDD-UHFFFAOYSA-N
[SMILES]

CC(C)(C)OC(N(C1)CC1=CC(OCC)=O)=O
Safety DataBack Directory
[WGK Germany ]

3
[HS Code ]

2933998090
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Uses]

Building block used as a precursor to the synthesis of thia and oxa-azaspiro[3.4]octanes. As reported in the Carreira lab, the product can readily undergo [3+2] cycloadditions with dipolariphiles to generate a series of small-ring spirocycles.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Ethoxycarbonylmethylene-azetidine-1-carboxylic acid tert-butyl ester(1002355-96-5)1HNMR
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