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tert-butyl 3-(4-bromophenyl)-3-fluoro-azetidine-1-carboxylate - 97%, high purity , CAS No.1357614-51-7

COA

Grade & Purity:

≥97%

Cas Number: 1357614-51-7
Molecular Weight: 330.19
MDL number: MFCD27922237
PubChem CID: 58079744

In stock

Item Number

T628527

Grouped product items
SKU	Size	Availability	Price
T628527-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$169.90
T628527-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$271.90
T628527-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$452.90
T628527-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$678.90
T628527-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,396.90

Basic Description

Synonyms	1357614-51-7 \| TERT-BUTYL 3-(4-BROMOPHENYL)-3-FLUOROAZETIDINE-1-CARBOXYLATE \| SCHEMBL569652 \| MFCD27922237 \| SB22263 \| BS-43183 \| 1-Boc-3-(4-bromophenyl)-3-fluoroazetidine \| CS-0056951 \| EN300-12577704 \| t-Butyl 3-(4-bromophenyl)-3-fluoroazetidine-1-carbo
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	Bromobenzenes Azetidinecarboxylic acids Aryl bromides Carbamate esters Tertiary amines Azacyclic compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-phenylazetidine - Azetidinecarboxylic acid - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Tertiary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - 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-bromophenyl)-3-fluoroazetidine-1-carboxylate
INCHI	InChI=1S/C14H17BrFNO2/c1-13(2,3)19-12(18)17-8-14(16,9-17)10-4-6-11(15)7-5-10/h4-7H,8-9H2,1-3H3
InChIKey	WMHGJPVZKDXWNI-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC(C1)(C2=CC=C(C=C2)Br)F
Isomeric SMILES	CC(C)(C)OC(=O)N1CC(C1)(C2=CC=C(C=C2)Br)F
PubChem CID	58079744
Molecular Weight	330.19

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	330.190 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	329.043 Da
Monoisotopic Mass	329.043 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	342.000
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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