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tert-butyl (2S)-2-(4-bromophenyl)pyrrolidine-1-carboxylate - 97%, high purity , CAS No.1189152-81-5

COA

Grade & Purity:

≥97%

Cas Number: 1189152-81-5
Molecular Weight: 326.23
PubChem CID: 57899258

In stock

Item Number

T627175

Grouped product items
SKU	Size	Availability	Price
T627175-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$178.90
T627175-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$285.90
T627175-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$476.90
T627175-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$714.90
T627175-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,576.90

Basic Description

Synonyms	(s)-tert-butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate \| 1189152-81-5 \| tert-butyl (S)-2-(4-bromophenyl)pyrrolidine-1-carboxylate \| tert-butyl (2S)-2-(4-bromophenyl)pyrrolidine-1-carboxylate \| SCHEMBL2169785 \| MFCD22741534 \| AKOS037644194 \| AS-48635 \|
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass Phenylpyrrolidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	Phenylpyrrolidines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrrolidines
Alternative Parents	Pyrrolidine carboxylic acids Bromobenzenes Aryl bromides Pyrroles Carbamate esters Tertiary amines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-phenylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrole - Carbamic acid ester - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
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 (2S)-2-(4-bromophenyl)pyrrolidine-1-carboxylate
INCHI	InChI=1S/C15H20BrNO2/c1-15(2,3)19-14(18)17-10-4-5-13(17)11-6-8-12(16)9-7-11/h6-9,13H,4-5,10H2,1-3H3/t13-/m0/s1
InChIKey	PZDPUQUIZKCNOF-ZDUSSCGKSA-N
Smiles	CC(C)(C)OC(=O)N1CCCC1C2=CC=C(C=C2)Br
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC[C@H]1C2=CC=C(C=C2)Br
PubChem CID	57899258
Molecular Weight	326.23

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	326.230 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	325.068 Da
Monoisotopic Mass	325.068 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	319.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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