trans-N-Boc-2,6-dimethyl-4-oxopiperidine - CAS 184368-70-5
Catalog: |
BB014130 |
Product Name: |
trans-N-Boc-2,6-dimethyl-4-oxopiperidine |
CAS: |
184368-70-5 |
Synonyms: |
(2R,6R)-2,6-dimethyl-4-oxo-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl (2R,6R)-2,6-dimethyl-4-oxopiperidine-1-carboxylate |
IUPAC Name: | tert-butyl (2R,6R)-2,6-dimethyl-4-oxopiperidine-1-carboxylate |
Description: | trans-N-Boc-2,6-dimethyl-4-oxopiperidine (CAS# 184368-70-5) is a reagent in the preparation of some methylated analogs of isoguvacine derivatives which are potential GABAA agonists. |
Molecular Weight: | 227.30 |
Molecular Formula: | C12H21NO3 |
Canonical SMILES: | CC1CC(=O)CC(N1C(=O)OC(C)(C)C)C |
InChI: | InChI=1S/C12H21NO3/c1-8-6-10(14)7-9(2)13(8)11(15)16-12(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9-/m1/s1 |
InChI Key: | ADBYGASBXODWTQ-RKDXNWHRSA-N |
LogP: | 1.04470 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2906537-B1 | Substituted benzene compounds | 20121015 |
US-10092572-B2 | Substituted benzene compounds | 20121015 |
US-2015284370-A1 | Substituted benzene compounds | 20121015 |
EP-3725314-A1 | Substituted benzene compounds | 20121015 |
US-2021060027-A1 | Substituted benzene compounds | 20121015 |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.15214353 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.15214353 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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