rel-syn-Octahydro- 6- (phenylmethyl) -1H-pyrrolo[3,4-b]pyridine - CAS 161594-54-3
Catalog: |
BB058600 |
Product Name: |
rel-syn-Octahydro- 6- (phenylmethyl) -1H-pyrrolo[3,4-b]pyridine |
CAS: |
161594-54-3 |
Synonyms: |
rel-8-Benzyl-2,8-diazabicyclo[4.3.0]nonane; rel-Octahydro-6-(phenylmethyl)-1H-pyrrolo[3,4-b]pyridine |
IUPAC Name: | (4aR,7aR)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine |
Description: | (4aR,7aR)-Octahydro-6-(phenylmethyl)-1H-pyrrolo[3,4-b]pyridine is an intermediate in the synthesis of Moxifloxacin (M745000) related compounds. |
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/t13-,14+/m1/s1 |
InChI Key: | AFYZAHZKOFBVLE-KGLIPLIRSA-N |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Clear Light Brown to Brown Oil |
References: | Tobin, C., et al. J. Antimicrob. Chemother., 42, 278 (1998),. |
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-111995624-A | Process for preparing racemic cis-8-benzyl-2, 8-diazabicyclo [4,3,0] nonane | 20200924 |
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 |
WO-2014097272-A2 | Method for production of (s,s)-6-benzyloctahydro-1h-pyrrolo[3,4-b]pyridine, an intermediate of azabicyclo pyridine derivatives | 20121221 |
US-10370388-B2 | Heterocyclic compounds and methods of their use | 20120106 |
US-2017145032-A1 | Heterocyclic compounds and methods of their use | 20120106 |
TW-201305181-A | Pyridazinone derivatives, preparation method thereof and application thereof in medicine | 20110726 |
WO-2012131629-A1 | A process for preparation of intermediate of moxifloxacin | 20110331 |
CN-102372706-A | Phthalazinone derivative, its preparation method and application in medicament | 20100809 |
WO-2012019426-A1 | Phthalazinone derivative, and preparation method and pharmaceutical use thereof | 20100809 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
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: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
-
[6315-52-2]
Ethylene di(p-toluenesulfonate)
-
[332360-02-8]
Mitoguazone dihydrochloride monohydrate
-
[1184173-73-6]
MK-8353
-
[35045-02-4]
Metribuzin-desamino
-
[155180-53-3]
RU-59063
-
[132182-92-4]
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-
INDUSTRY LEADERS TRUST OUR PRODUCTS