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

CAS: 69610-40-8 Cat. No.: B111050 分子式: C₁₀H₁₉NO₃ 分子量: 201.26 Beilstein Registry Number: 3542667 EC番号: 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

概要

Used to synthesize anticoagulants. Building block for novel nicotinic acetylcholine receptor ligands with cognition-enhancing properties; Used in the synthesis of chiral β-amino sulfides and β-amino thiols.

Specifications

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488190963

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488190963

カノニカル・スマイル

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

異性体SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1CO

WGKドイツ

3

分子量

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
    • 分類 Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in Methanol
• 比旋光度［α］: -55 ° (C=5, MeOH)
• 沸点（°C）: 150 °C/4 mmHg
• 融点（°C）: 62-64°C
• 分子量: 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

よくある質問

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.