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(1r,2s,4s)-rel-7-boc-7-azabicyclo[2.2.1]heptan-2-ol - 97%, high purity , CAS No.154905-36-9
Discover (1r,2s,4s)-rel-7-boc-7-azabicyclo[2.2.1]heptan-2-ol by Aladdin Scientific in 97% for only $898.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
154905-36-9 | (1r,2s,4s)-rel-7-boc-7-azabicyclo[2.2.1]heptan-2-ol | (1R,2S,4S)-rel-tert-Butyl 2-hydroxy-7-azabicyclo[2.2.1]heptane-7-carboxylate | TERT-BUTYL (1R,2S,4S)-2-HYDROXY-7-AZABICYCLO[2.2.1]HEPTANE-7-CARBOXYLATE | 154905-39-2 | 7-Azabicyclo[2.2.1]heptane-7-
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Pyrrolidine carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolidine carboxylic acids
Alternative Parents
Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Pyrrolidine carboxylic acid - Carbamic acid ester - Cyclic alcohol - Secondary alcohol - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
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
IUPAC Name
tert-butyl (1R,2S,4S)-2-hydroxy-7-azabicyclo[2.2.1]heptane-7-carboxylate
INCHI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-7-4-5-8(12)9(13)6-7/h7-9,13H,4-6H2,1-3H3/t7-,8+,9-/m0/s1
InChIKey
WKKIHGBRNBOCMB-YIZRAAEISA-N
Smiles
CC(C)(C)OC(=O)N1C2CCC1C(C2)O
Isomeric SMILES
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@H](C2)O
PubChem CID
10013458
Molecular Weight
213.277
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
213.270 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
213.136 Da
Monoisotopic Mass
213.136 Da
Topological Polar Surface Area
49.800 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
271.000
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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