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(−)-cis-Myrtanylamine - 98%, high purity , CAS No.73522-42-6
Basic Description
Synonyms
((1S,2R,5S)-6,6-Dimethylbicyclo(3.1.1)heptan-2-yl)methanamine | BICYCLO(3.1.1)HEPTANE-2-METHANAMINE, 6,6-DIMETHYL-, (1R,2S,5R)-REL- | SYJBFPCQIJQYNV-CIUDSAMLSA-N | (1S,2R,5S)-6,6-Dimethylbicyclo(3.1.1)heptane-2-methanamine
Specifications & Purity
≥98%
Product Description
Description
(-)-cis-Myrtanylamine may be used:As a reactant to prepareN,N-bis((-)-cis-myrtanyl)butylene-2,3-diimine (BMDI), a bidentate diimine ligand that can form transition metal complexes for catalyzing asymmetric synthesis.As a building block to prepare imidazole derivatives, which are potent and selective cannabinoid receptor (CB2) antagonists.To prepare a chiral catalyst, which can catalyze asymmetric three-component Mannich reaction.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Bicyclic monoterpenoids
Alternative Parents
Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Pinane monoterpenoid - Bicyclic monoterpenoid - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
488197268
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488197268
IUPAC Name
[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanamine
INCHI
InChI=1S/C10H19N/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9H,3-6,11H2,1-2H3/t7-,8-,9-/m0/s1
InChIKey
SYJBFPCQIJQYNV-CIUDSAMLSA-N
Smiles
CC1(C)[C@@]2([H])CC[C@](CN)([H])[C@@]1(C2)[H]
Isomeric SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CN)C
UN Number
2735
Molecular Weight
153.26
Reaxy-Rn
5239927
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5239927&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
n20/D 1.4877 (lit.)
Specific Rotation[α]
[α]22/D −30.5°, neat
Flash Point(°F)
172.4 °F - closed cup
Flash Point(°C)
78 °C - closed cup
Boil Point(°C)
94-99℃/27mmHg (lit.)
Molecular Weight
153.260 g/mol
XLogP3
2.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
153.152 Da
Monoisotopic Mass
153.152 Da
Topological Polar Surface Area
26.000 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
162.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
3
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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L2412463