Skip to the beginning of the images gallery

tert-butyl 3-[4-fluoro-3-(trifluoromethyl)phenyl]-3-hydroxyazetidine-1-carboxylate - 97%, high purity , CAS No.1694286-57-1

COA

Grade & Purity:

≥97%

Cas Number: 1694286-57-1
Molecular Weight: 335.3
PubChem CID: 107287515

In stock

Item Number

T630196

Grouped product items
SKU	Size	Availability	Price
T630196-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$387.90
T630196-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$484.90
T630196-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,941.90
T630196-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,881.90

Basic Description

Synonyms	1694286-57-1 \| tert-Butyl 3-[4-fluoro-3-(trifluoromethyl)phenyl]-3-hydroxyazetidine-1-carboxylate \| MFCD30802667 \| SB22313 \| BS-43190 \| CS-0056981 \| P19723 \| 1-Boc-3-[4-fluoro-3-(trifluoromethyl)phenyl]-3-hydroxyazetidine \| t-Butyl 3-[4-fluoro-3-(trifluor
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 Fluorobenzenes Azetidinecarboxylic acids Aryl fluorides Tertiary alcohols Carbamate esters Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Trifluoromethylbenzene - 3-phenylazetidine - Azetidinecarboxylic acid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Tertiary alcohol - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - 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-[4-fluoro-3-(trifluoromethyl)phenyl]-3-hydroxyazetidine-1-carboxylate
INCHI	InChI=1S/C15H17F4NO3/c1-13(2,3)23-12(21)20-7-14(22,8-20)9-4-5-11(16)10(6-9)15(17,18)19/h4-6,22H,7-8H2,1-3H3
InChIKey	RVMPYTPXCLOKQD-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC(C1)(C2=CC(=C(C=C2)F)C(F)(F)F)O
Isomeric SMILES	CC(C)(C)OC(=O)N1CC(C1)(C2=CC(=C(C=C2)F)C(F)(F)F)O
PubChem CID	107287515
Molecular Weight	335.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	335.290 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	335.114 Da
Monoisotopic Mass	335.114 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	455.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration