Skip to the beginning of the images gallery

tert-butyl 4-chlorocarbonylpiperazine-1-carboxylate - 97%, high purity , CAS No.59878-28-3

COA

Grade & Purity:

≥97%

Cas Number: 59878-28-3
Molecular Weight: 248.71
EC Number: 861-093-9
MDL number: MFCD09028534
PubChem CID: 11334154

In stock

Item Number

T638312

Grouped product items
SKU	Size	Availability	Price
T638312-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$38.90
T638312-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$485.90
T638312-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$372.90

View related series

chlorides (48)

Basic Description

Synonyms	SB11269 \| MFCD09028534 \| 4-(2-methyl-2-propyloxycarbonyl)piperazine-1-carbonylchloride \| 1-chlorocarbonyl-4-tert-butoxycarbonylpiperazine \| SCHEMBL485772 \| 1-Piperazinecarboxylic acid, 4-(chlorocarbonyl)-, 1,1-dimethylethyl ester \| A857310 \| EN300-155336
Specifications & Purity	≥97%
Storage Temp	Protected from light,Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines
      - Level5 Piperazine carboxylic acids and derivatives
        Level6 Piperazine carboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Piperazine carboxylic acids and derivatives
Direct Parent	Piperazine carboxylic acids
Alternative Parents	Carbamate esters Organic carbonic acids and derivatives Carbamic acid halides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Piperazine-1-carboxylic acid - Carbamic acid ester - Carbamic acid halide - Carbamic acid derivative - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups.
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-carbonochloridoylpiperazine-1-carboxylate
INCHI	InChI=1S/C10H17ClN2O3/c1-10(2,3)16-9(15)13-6-4-12(5-7-13)8(11)14/h4-7H2,1-3H3
InChIKey	NCIQNWYJLAAFAH-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCN(CC1)C(=O)Cl
Isomeric SMILES	CC(C)(C)OC(=O)N1CCN(CC1)C(=O)Cl
Alternate CAS	59878-28-3
PubChem CID	11334154
Molecular Weight	248.71

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Moisture sensitive；light sensitive
Molecular Weight	248.700 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	248.093 Da
Monoisotopic Mass	248.093 Da
Topological Polar Surface Area	49.900 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	280.000
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