tert-Butyl 2-ethynylpiperidine-1-carboxylate - ≥97% , CAS No.255864-58-5

CAS: 255864-58-5 Cat. No.: B192336 Summenformel: C₁₂H₁₉NO₂ Molekulargewicht: 209.29 EG-Nummer: 826-716-0

GRADE & PURITY ≥97%

Synonyms

AB74005 | AB69489 | 1-Boc-2-Ethynylpiperidine | 2-Ethynyl-piperidine | TERT-BUTYL2-ETHYNYLPIPERIDINE-1-CARBOXYLATE | F30052 | 1-PIPERIDINECARBOXYLIC ACID, 2-ETHYNYL-, 1,1-DIMETHYLETHYL ESTER | DS-13115 | MFCD13189966 | OLYLUYXEZAJXAC-UHFFFAOYSA-N | Z15057

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

AB74005 | AB69489 | 1-Boc-2-Ethynylpiperidine | 2-Ethynyl-piperidine | TERT-BUTYL2-ETHYNYLPIPERIDINE-1-CARBOXYLATE | F30052 | 1-PIPERIDINECARBOXYLIC ACID, 2-ETHYNYL-, 1,1-DIMETHYLETHYL ESTER | DS-13115 | MFCD13189966 | OLYLUYXEZAJXAC-UHFFFAOYSA-N | Z15057

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CC(C)(C)OC(=O)N1CCCCC1C#C
• IUPAC Name: tert-butyl 2-ethynylpiperidine-1-carboxylate
• InChIKey: OLYLUYXEZAJXAC-UHFFFAOYSA-N
• INCHI: 1S/C12H19NO2/c1-5-10-8-6-7-9-13(10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3
• Isomere SMILES: CC(C)(C)OC(=O)N1CCCCC1C#C
• Molekulargewicht: 209.29
• Reaxy-Rn: 8409377
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8409377&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Acetylides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Carbamic acid ester - Carbonic acid derivative - Acetylide - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
• 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°C): 116.8±24.3°C
• Siedepunkt (°C): 269.6±29.0 °C at 760 mmHg
• Schmelzpunkt (°C): 30 - 50℃
• Molekulargewicht: 209.280 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 209.142 Da
• Monoisotopic Mass: 209.142 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 282.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1