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(3R，4S)-tert-Butyl 3-(1-ethoxyethoxy)-2-oxo-4-phenylazetidine-1-carboxylate - ≥98%, high purity , CAS No.201856-57-7

COA

Grade & Purity:

≥98%

Cas Number: 201856-57-7
PubChem CID: 9927699

In stock

Item Number

T710419

Grouped product items
SKU	Size	Availability	Price	Qty
T710419-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,359.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Lactams
    - Subclass Beta lactams

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Lactams
Subclass	Beta lactams
Intermediate Tree Nodes	Not available
Direct Parent	Monobactams
Alternative Parents	Phenylazetidines Azetidinecarboxylic acids Benzene and substituted derivatives Dicarboximides Carbamate esters Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Monobactam - 2-phenylazetidine - Azetidinecarboxylic acid - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Dicarboximide - Azetidine - Acetal - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as monobactams. These are compounds comprising beta-lactam ring is alone and not fused to another ring.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	tert-butyl (3R,4S)-3-(1-ethoxyethoxy)-2-oxo-4-phenylazetidine-1-carboxylate
INCHI	InChI=1S/C18H25NO5/c1-6-22-12(2)23-15-14(13-10-8-7-9-11-13)19(16(15)20)17(21)24-18(3,4)5/h7-12,14-15H,6H2,1-5H3/t12?,14-,15+/m0/s1
InChIKey	CZTZICYNMYGUNU-JQXSQYPDSA-N
Smiles	CCOC(C)OC1C(N(C1=O)C(=O)OC(C)(C)C)C2=CC=CC=C2
Isomeric SMILES	CCOC(C)O[C@@H]1[C@@H](N(C1=O)C(=O)OC(C)(C)C)C2=CC=CC=C2
Alternate CAS	201856-57-7
PubChem CID	9927699

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	335.400 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	335.173 Da
Monoisotopic Mass	335.173 Da
Topological Polar Surface Area	65.099 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	453.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
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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