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

CAS: 66051-01-2 Cat. No.: S472567 분자식: C₆H₅CH(OCH₃)CH₂OH 분자량: 152.19 EC 번호: 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

개요

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

동의어

(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-

사양 및 순도

≥98%

보관 조건

Room temperature

순수함

≥98%

이름과 식별자

• 정식 스마일: 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
• 이성체 SMILES: CO[C@H](CO)C1=CC=CC=C1
• 분자량: 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
    • 분류 Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 굴절률: n20/D 1.52 (lit.)
• 끓는점(°C): 65℃/0.1mmHg (lit.)
• 분자량: 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

자주 묻는 질문

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.