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1-Boc-4-[3-(ethoxycarbonyl)phenyl]piperazine - 97%, high purity , CAS No.261925-94-4

COA

Grade & Purity:

≥97%

Cas Number: 261925-94-4
Molecular Weight: 334.41
PubChem CID: 16217941

In stock

Item Number

B169125

Grouped product items
SKU	Size	Availability	Price
B169125-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$51.90
B169125-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$231.90
B169125-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90
B169125-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$542.90

Discover 1-Boc-4-[3-(ethoxycarbonyl)phenyl]piperazine by Aladdin Scientific in 97% for only $51.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	SCHEMBL674604 \| TERT-BUTYL 4-[3-(ETHOXYCARBONYL)PHENYL]PIPERAZINE-1-CARBOXYLATE \| AS-31191 \| 1-Piperazinecarboxylic acid, 4-[3-(ethoxycarbonyl)phenyl]-, 1,1-dimethylethyl ester \| 1-Boc-4-[3-(ethoxycarbonyl)phenyl]piperazine, 97% \| A877320 \| MFCD07369778 \|
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpiperazines
Alternative Parents	N-arylpiperazines Aminobenzoic acids and derivatives Benzoic acid esters Piperazine carboxylic acids Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Carbamate esters Carboxylic acid esters Organic carbonic acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpiperazine - N-arylpiperazine - Aminobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Piperazine-1-carboxylic acid - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Tertiary amine - Amino acid or derivatives - Carbonic acid derivative - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Amine - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
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 4-(3-ethoxycarbonylphenyl)piperazine-1-carboxylate
INCHI	InChI=1S/C18H26N2O4/c1-5-23-16(21)14-7-6-8-15(13-14)19-9-11-20(12-10-19)17(22)24-18(2,3)4/h6-8,13H,5,9-12H2,1-4H3
InChIKey	CCLGNFZMWMCRCH-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC(=CC=C1)N2CCN(CC2)C(=O)OC(C)(C)C
Isomeric SMILES	CCOC(=O)C1=CC(=CC=C1)N2CCN(CC2)C(=O)OC(C)(C)C
WGK Germany	2
Molecular Weight	334.41
Reaxy-Rn	19227843
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19227843&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	62-66 °C
Molecular Weight	334.400 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	334.189 Da
Monoisotopic Mass	334.189 Da
Topological Polar Surface Area	59.100 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	439.000
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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