1-Boc-ピペラジン - ≥98% , CAS No.57260-71-6

CAS: 57260-71-6 Cat. No.: B106917 分子式: C₉H₁₈N₂O₂ 分子量: 186.25 Beilstein Registry Number: 879985 EC番号: 611-489-0

GRADE & PURITY ≥98%

Synonyms

1 -t-butoxycarbonyl piperazine | 1-[1,1-dimethylethoxycarbonyl]piperazine | 1-boc piperazine | n-tert-butyloxycarbonylpiperazine | N-tert-butyloxycarbonyl-piperazine | tert-butyl-1-piperazinecarboxylate | tertbutyl-1-piperazinecarboxylate | 1-(t-butoxycar

Storage

2-8℃で保管、アルゴン充填

Shipped In

濡れた氷

概要

1-Boc-ピペラジンはN-Bocで保護されたピペラジンである。CuBr/1,1′-bi-2-naphthol(触媒)とK3PO4(塩基)を用いた1-Boc-ピペラジンとヨウ化アリールのクロスカップリングが報告されている。1-Boc-ピペラジンはハロゲン化アリールとBuchwald-Hartwigカップリング反応を起こす。
1-Boc-ピペラジンはBuchwald-Hartwigカップリング反応に使用される。

Specifications

同義語

1 -t-butoxycarbonyl piperazine | 1-[1,1-dimethylethoxycarbonyl]piperazine | 1-boc piperazine | n-tert-butyloxycarbonylpiperazine | N-tert-butyloxycarbonyl-piperazine | tert-butyl-1-piperazinecarboxylate | tertbutyl-1-piperazinecarboxylate | 1-(t-butoxycar

仕様と純度

≥98%

保管条件

2-8℃で保管、アルゴン充填

入荷

濡れた氷

純度

≥98%

名前と識別子

パブケム・シド

504757261

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504757261

カノニカル・スマイル

CC(C)(C)OC(=O)N1CCNCC1

IUPAC Name

tert-butyl piperazine-1-carboxylate

InChIKey

CWXPZXBSDSIRCS-UHFFFAOYSA-N

INCHI

1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3

異性体SMILES

CC(C)(C)OC(=O)N1CCNCC1

WGKドイツ

3

代替CAS番号

143238-38-4

分子量

186.25

Beilstein

879985

Reaxy-Rn

879985

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=879985&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Diazinanes
      • Subclass Piperazines
        • Level5 Piperazine carboxylic acids and derivatives
          • Level6 Piperazine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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 Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperazine-1-carboxylic acid - Carbamic acid ester - Carbonic acid derivative - Secondary aliphatic amine - Secondary amine - Azacycle - Organopnictogen compound - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• 説明: 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

Data sources

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

化学的性質と物理的性質

• 溶解度: Soluble in ethyl acetate, methanol and water.
• 感度: Air Sensitive;Hygroscopic ;Heat sensitive
• 引火点（°F）: 235.4 °F
• 引火点（°C）: 113 °C
• 融点（°C）: 43-47°C
• 分子量: 186.250 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.137 Da
• Monoisotopic Mass: 186.137 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 181.000
• 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