1-Boc-4-hydroxy-3,3-dimethylpiperidine , CAS No.143306-65-4

CAS: 143306-65-4 Cat. No.: B167280 Summenformel: C₁₂H₂₃NO₃ Molekulargewicht: 229.32 EG-Nummer: 852-518-9

Synonyms

tert-butyl 4-hydroxy-3,3-dimethyl-piperidine-1-carboxylate | TERT-BUTYL 4-HYDROXY-3,3-DIMETHYLPIPERIDINE-1-CARBOXYLATE | 1-Boc-3,3-dimethylpiperidin-4-ol | AS-34002 | QZMUVNRDYLNZDA-UHFFFAOYSA-N | SB11750 | DTXSID30693848 | MFCD11977343 | 1-Boc-4-hydroxy-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

tert-butyl 4-hydroxy-3,3-dimethyl-piperidine-1-carboxylate | TERT-BUTYL 4-HYDROXY-3,3-DIMETHYLPIPERIDINE-1-CARBOXYLATE | 1-Boc-3,3-dimethylpiperidin-4-ol | AS-34002 | QZMUVNRDYLNZDA-UHFFFAOYSA-N | SB11750 | DTXSID30693848 | MFCD11977343 | 1-Boc-4-hydroxy-

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

Kanonisches Lächeln

CC1(CN(CCC1O)C(=O)OC(C)(C)C)C

IUPAC Name

tert-butyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate

InChIKey

QZMUVNRDYLNZDA-UHFFFAOYSA-N

INCHI

1S/C12H23NO3/c1-11(2,3)16-10(15)13-7-6-9(14)12(4,5)8-13/h9,14H,6-8H2,1-5H3

Isomere SMILES

CC1(CN(CCC1O)C(=O)OC(C)(C)C)C

Molekulargewicht

229.32

Reaxy-Rn

20387103

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20387103&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 Secondary alcohols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Carbamic acid ester - Secondary alcohol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - 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

• Molekulargewicht: 229.320 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 229.168 Da
• Monoisotopic Mass: 229.168 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 268.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 143306-65-4, the molecular formula is C12H23NO3, and the molecular weight is 229.32 g/mol. InChIKey QZMUVNRDYLNZDA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.