Ethyl 2-(1-Boc-azetidin-3-ylidene)acetate - CAS 1002355-96-5
Catalog: |
BB000138 |
Product Name: |
Ethyl 2-(1-Boc-azetidin-3-ylidene)acetate |
CAS: |
1002355-96-5 |
Synonyms: |
3-(2-ethoxy-2-oxoethylidene)-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3-(2-ethoxy-2-oxoethylidene)azetidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-(2-ethoxy-2-oxoethylidene)azetidine-1-carboxylate |
Description: | Ethyl 2-(1-Boc-azetidin-3-ylidene)acetate (CAS# 1002355-96-5) is a useful research chemical. |
Molecular Weight: | 241.28 |
Molecular Formula: | C12H19NO4 |
Canonical SMILES: | CCOC(=O)C=C1CN(C1)C(=O)OC(C)(C)C |
InChI: | 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 |
InChI Key: | WYWJZDFQQJTRDD-UHFFFAOYSA-N |
Appearance: | Off-white, light brown powder |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD16140210 |
LogP: | 1.66450 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021139517-A1 | Bicyclic heteroaryl compounds and uses thereof | 20191108 |
WO-2021092115-A1 | Bicyclic heteroaryl compounds and uses thereof | 20191108 |
WO-2020057511-A1 | Quinazoline derivatives as antitumor agents | 20180918 |
AU-2019341273-A1 | Quinazoline derivatives as antitumor agents | 20180918 |
CA-3099776-A1 | Quinazoline derivatives as antitumor agents | 20180918 |
Complexity: | 333 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.13140809 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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