BOC-L-Prolinol - ≥98% , CAS No.69610-40-8

CAS: 69610-40-8 Cat. No.: B111050 Summenformel: C₁₀H₁₉NO₃ Molekulargewicht: 201.26 Beilstein Registry Number: 3542667 EG-Nummer: 627-775-3

GRADE & PURITY ≥98%

Synonyms

B3077 | BP-13138 | (s)-(-)-1-(t-butoxycarbonyl)-2-pyrrolidine methanol | (2S)-1-tert-butoxycarbonyl-2-pyrrolidinemethanol | (5)-tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate | 2-(S)-hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester | AC

Storage

Room temperature

Shipped In

Normal

Übersicht

Wird zur Synthese von Antikoagulantien verwendet. Baustein für neuartige Liganden des nikotinischen Acetylcholinrezeptors mit kognitionsfördernden Eigenschaften; Verwendung bei der Synthese von chiralen β-Aminosulfiden und β-Aminothiolen.

Specifications

Synonyme

B3077 | BP-13138 | (s)-(-)-1-(t-butoxycarbonyl)-2-pyrrolidine methanol | (2S)-1-tert-butoxycarbonyl-2-pyrrolidinemethanol | (5)-tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate | 2-(S)-hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester | AC

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488190963
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190963
• Kanonisches Lächeln: CC(C)(C)OC(=O)N1CCCC1CO
• IUPAC Name: tert-butyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
• InChIKey: BFFLLBPMZCIGRM-QMMMGPOBSA-N
• INCHI: 1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1
• Isomere SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1CO
• WGK Deutschland: 3
• Molekulargewicht: 201.26
• Beilstein: 3542667
• Reaxy-Rn: 1453371
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1453371&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyrrolidines
• Subclass: Pyrrolidine carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine carboxylic acids
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine carboxylic acid - Carbamic acid ester - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Spezifische Drehung [α]: -55 ° (C=5, MeOH)
• Siedepunkt (°C): 150 °C/4 mmHg
• Schmelzpunkt (°C): 62-64°C
• Molekulargewicht: 201.260 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.136 Da
• Monoisotopic Mass: 201.136 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 210.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 69610-40-8, the molecular formula is C10H19NO3, and the molecular weight is 201.26 g/mol. InChIKey BFFLLBPMZCIGRM-QMMMGPOBSA-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.