2,5-Diazabicyclo[4.1.0]heptane-2-carboxylic Acid Dimethylethyl Ester - CAS 1228675-18-0
Catalog: |
BB062771 |
Product Name: |
2,5-Diazabicyclo[4.1.0]heptane-2-carboxylic Acid Dimethylethyl Ester |
CAS: |
1228675-18-0 |
Synonyms: |
tert-butyl 2,5-diazabicyclo[4.1.0]heptane-2-carboxylate; 2,5-Diazabicyclo[4.1.0]heptane-2-carboxylic Acid Dimethylethyl Ester; 2-Boc-2,5-diazabicyclo[4.1.0]heptane |
IUPAC Name: | tert-butyl 2,5-diazabicyclo[4.1.0]heptane-2-carboxylate |
Description: | 2,5-Diazabicyclo[4.1.0]heptane-2-carboxylic Acid Dimethylethyl Ester is used in the synthesis of piperazines which show pharmacological activity and also a Ciprofloxacin analogue. |
Molecular Weight: | 198.26 |
Molecular Formula: | C10H18N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCNC2C1C2 |
InChI: | InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-5-4-11-7-6-8(7)12/h7-8,11H,4-6H2,1-3H3 |
InChI Key: | MALCQJIQWIWGOV-UHFFFAOYSA-N |
References: | Taylor, R. et al. Tetra., 66, 3370 (2010). |
GHS Hazard Statement: | H302 (50%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2022017446-A1 | Unit dosage composition of akt inhibitor | 20200722 |
WO-2022017448-A1 | Salt and crystal form of dihydropyrido[2,3-d]pyrimidine derivate | 20200722 |
WO-2022017449-A1 | Salt of dihydropyrido[2,3-d]pyrimidinone derivative, preparation method therefor, and use thereof | 20200722 |
WO-2021228223-A1 | Deuterated akt kinase inhibitor | 20200515 |
WO-2020156437-A1 | Akt inhibitor | 20190129 |
AU-2020214258-A1 | AKT inhibitor | 20190129 |
CA-3127884-A1 | Akt inhibitor | 20190129 |
CN-113272304-A | AKT inhibitors | 20190129 |
KR-20210120054-A | AKT inhibitors | 20190129 |
EP-3919491-A1 | Akt inhibitor | 20190129 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.136827821 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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