Octahydro-6-(phenylmethyl)-1H-Pyrrolo[3,4-b]pyridine - CAS 128740-14-7
Catalog: |
BB056699 |
Product Name: |
Octahydro-6-(phenylmethyl)-1H-Pyrrolo[3,4-b]pyridine |
CAS: |
128740-14-7 |
Synonyms: |
6-Benzyloctahydro-1H-pyrrolo[3,4-b]piperidine; 6-Benzyloctahydropyrrolo[3,4-b]pyridine; 8-Benzyl-2,8-diazabicyclo[4.3.0]octane |
IUPAC Name: | 6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine |
Description: | Octahydro-6-(phenylmethyl)-1H-Pyrrolo[3,4-b]pyridine is an intermediate in the synthesis of moxifoxacin (M745000), a fluorinated quinolone antibacterial. |
Molecular Weight: | 216.32 |
Molecular Formula: | C14H20N2 |
Canonical SMILES: | C1CC2CN(CC2NC1)CC3=CC=CC=C3 |
InChI: | InChI=1S/C14H20N2/c1-2-5-12(6-3-1)9-16-10-13-7-4-8-15-14(13)11-16/h1-3,5-6,13-15H,4,7-11H2 |
InChI Key: | AFYZAHZKOFBVLE-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Clear Light yellow to Light Brown Oil |
Storage: | Refrigerator |
References: | Somisetti, N. et al. Org. Chem. Indian J., 7, 123 (2011). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P391, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112110916-A | Process for preparing racemic cis-8-benzyl-2, 8-diazabicyclo [4,3,0] nonane | 20200924 |
CN-112110916-B | Process for preparing racemic cis-8-benzyl-2, 8-diazabicyclo [4,3,0] nonane | 20200924 |
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CN-106478487-B | Pyrrolidines and its synthetic method | 20160919 |
CN-105418606-A | Preparation method for 8-benzyl-2,8-diazabicyclo[4.3.0]-nonane | 20151124 |
CN-105418606-B | The preparation method of 8 benzyl 2,8 diazabicyclo [4,3,0] nonane | 20151124 |
AU-2016303558-A1 | Dopamine D3 receptor antagonists having a bicyclo moiety | 20150805 |
CA-2992820-A1 | Dopamine d3 receptor antagonists having a bicyclo moiety | 20150805 |
EP-3331886-A1 | Dopamine d3 receptor antagonists having a bicyclo moiety | 20150805 |
US-10273244-B2 | Substituted hexahydropyrrolo[3,4-b]pyrroles and hexahydrocyclopenta[c]pyrroles as dopamine receptor modulators | 20150805 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.162648646 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.162648646 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 15.3Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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