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tert-butyl 3-hydroxy-3-[3-(trifluoromethyl)phenyl]azetidine-1-carboxylate - 97%, high purity , CAS No.1609671-73-9

COA

Grade & Purity:

≥97%

Cas Number: 1609671-73-9
Molecular Weight: 317.3
PubChem CID: 90135185

In stock

Item Number

T629808

Grouped product items
SKU	Size	Availability	Price
T629808-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$484.90
T629808-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,941.90
T629808-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,881.90

Basic Description

Synonyms	1609671-73-9 \| tert-butyl 3-hydroxy-3-[3-(trifluoromethyl)phenyl]azetidine-1-carboxylate \| tert-Butyl 3-hydroxy-3-(3-(trifluoromethyl)phenyl)azetidine-1-carboxylate \| SCHEMBL15689795 \| MFCD32661388 \| AS-79248 \| CS-0310023 \| P20829 \| EN300-4447672 \| 1-Boc-
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azetidines
    - Subclass Phenylazetidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azetidines
Subclass	Phenylazetidines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylazetidines
Alternative Parents	Trifluoromethylbenzenes Azetidinecarboxylic acids Tertiary alcohols Carbamate esters Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Trifluoromethylbenzene - 3-phenylazetidine - Azetidinecarboxylic acid - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Carbamic acid ester - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylazetidines. These are polycyclic aromatic compounds containing a phenyl ring substituted with an azetidine 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 3-hydroxy-3-[3-(trifluoromethyl)phenyl]azetidine-1-carboxylate
INCHI	InChI=1S/C15H18F3NO3/c1-13(2,3)22-12(20)19-8-14(21,9-19)10-5-4-6-11(7-10)15(16,17)18/h4-7,21H,8-9H2,1-3H3
InChIKey	MDIZUWACDAAIPA-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC(C1)(C2=CC(=CC=C2)C(F)(F)F)O
Isomeric SMILES	CC(C)(C)OC(=O)N1CC(C1)(C2=CC(=CC=C2)C(F)(F)F)O
PubChem CID	90135185
Molecular Weight	317.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	317.300 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	317.124 Da
Monoisotopic Mass	317.124 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	425.000
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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