(S)-(+)-2-Methoxy-2-phenylethanol - ≥98% , CAS No.66051-01-2

CAS: 66051-01-2 Cat. No.: S472567 分子式: C₆H₅CH(OCH₃)CH₂OH 分子量: 152.19 EC番号: 621-813-2

GRADE & PURITY ≥98%

Synonyms

(2S)-2-methoxy-2-phenylethan-1-ol | (S)-2-methoxy-2-phenylethan-1-ol | SCHEMBL2482267 | (S)-(+)-2-Methoxy-2-phenylethanol, 98% | beta-Methoxyphenethyl alcohol | (S)-(+)-2-Methoxy-2-phenylethanol | (+)-beta-Methoxyphenethyl alcohol | AKOS022171965 | (S)-2-

Storage

Room temperature

概要

Description

(S)-(+)-2-Methoxy-2-phenylethanol can be used:As a starting material for the synthesis ofN-substituted 6,7-benzomorphan based opioid receptor agonists.As a ligand in the preparation of organolanthanoid complexes.As starting material for the synthesis ofN-acetyl-O-((2S)-2-methoxy-2-phenylethyl)-L-serine, a serine proteases inhibitor.

Specifications

同義語

(2S)-2-methoxy-2-phenylethan-1-ol | (S)-2-methoxy-2-phenylethan-1-ol | SCHEMBL2482267 | (S)-(+)-2-Methoxy-2-phenylethanol, 98% | beta-Methoxyphenethyl alcohol | (S)-(+)-2-Methoxy-2-phenylethanol | (+)-beta-Methoxyphenethyl alcohol | AKOS022171965 | (S)-2-

仕様と純度

≥98%

保管条件

Room temperature

純度

≥98%

名前と識別子

• カノニカル・スマイル: COC(CO)C1=CC=CC=C1
• IUPAC Name: (2S)-2-methoxy-2-phenylethanol
• InChIKey: JDTUPLBMGDDPJS-SECBINFHSA-N
• INCHI: 1S/C9H12O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m1/s1
• 異性体SMILES: CO[C@H](CO)C1=CC=CC=C1
• 分子量: 152.19
• Reaxy-Rn: 1938120
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1938120&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

• 屈折率: n20/D 1.52 (lit.)
• 沸点（°C）: 65℃/0.1mmHg (lit.)
• 分子量: 152.190 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.084 Da
• Monoisotopic Mass: 152.084 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 97.700
• 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.

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

The CAS Number is 66051-01-2, the molecular formula is C9H12O2, and the molecular weight is 152.19 g/mol. InChIKey JDTUPLBMGDDPJS-SECBINFHSA-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.