tert-butyl 2-ethynylmorpholine-4-carboxylate - CAS 1416229-07-6
Catalog: |
BB057466 |
Product Name: |
tert-butyl 2-ethynylmorpholine-4-carboxylate |
CAS: |
1416229-07-6 |
Synonyms: |
1,1-Dimethylethyl 2-ethynyl-4-morpholinecarboxylate; 2-Ethynylmorpholine-4-carboxylic acid tert-butyl ester; 4-(tert-Butoxycarbonyl)-2-ethynylmorpholine |
IUPAC Name: | tert-butyl 2-ethynylmorpholine-4-carboxylate |
Description: | tert-butyl 2-ethynylmorpholine-4-carboxylate can be useful in the preparation and structure-activity relationship study of 4-azaindole-2-piperidine derivs. as agents against Trypanosoma cruzi. |
Molecular Weight: | 211.26 |
Molecular Formula: | C11H17NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCOC(C1)C#C |
InChI: | InChI=1S/C11H17NO3/c1-5-9-8-12(6-7-14-9)10(13)15-11(2,3)4/h1,9H,6-8H2,2-4H3 |
InChI Key: | JBOKXNRQCWCOJH-UHFFFAOYSA-N |
References: | Koovits, P. J., et al. Bioorg. Med. Chem. Lett., 30, 126779 (2020). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.1208434 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.1208434 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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