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benzyl 3-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate - 97%, high purity , CAS No.362704-72-1
Discover benzyl 3-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate by Aladdin Scientific in 97% for only $179.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
362704-72-1 | benzyl 3-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate | 1-Cbz-3-methoxycarbonylmethylene-azetidine | MFCD17677520 | DTXSID30718782 | AKOS015836893 | SB11528 | AM100723 | AS-33978 | SY098284 | CS-0049856 | Methyl 2-(1-Cbz-azetidin-3-ylidene)acetate | EN300-742
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyloxycarbonyls
Intermediate Tree Nodes
Not available
Direct Parent
Benzyloxycarbonyls
Alternative Parents
Azetidinecarboxylic acids Methyl esters Enoate esters Carbamate esters Tertiary amines Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyloxycarbonyl - Azetidinecarboxylic acid - Carbamic acid ester - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Azetidine - Carboxylic acid ester - Tertiary amine - Amino acid or derivatives - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
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
benzyl 3-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate
INCHI
InChI=1S/C14H15NO4/c1-18-13(16)7-12-8-15(9-12)14(17)19-10-11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
InChIKey
RADJACRBEVKPOT-UHFFFAOYSA-N
Smiles
COC(=O)C=C1CN(C1)C(=O)OCC2=CC=CC=C2
Isomeric SMILES
COC(=O)C=C1CN(C1)C(=O)OCC2=CC=CC=C2
Molecular Weight
261.277
Reaxy-Rn
14380473
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14380473&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
261.269 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
261.1 Da
Monoisotopic Mass
261.1 Da
Topological Polar Surface Area
55.800 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
364.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
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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