(S)-(+)-α-Methoxy-α-trifluoromethylphenylacetyl chloride - ≥98%(GC) , CAS No.20445-33-4

CAS: 20445-33-4 Cat. No.: M113469 Peso molecular: 252.62 Beilstein Registry Number: 3591562 Número EC: 633-847-5

GRADE & PURITY ≥98%(GC)

Synonyms

(R)-(-)--Methoxy--(trifluoromethyl)phenylacetic acid chloride | (s)-alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride | PS-10920 | (+)-(alphaS)-alpha-Methoxy-alpha-(trifluoromethyl)benzeneacetyl chloride | (+)-MTPA-Cl | Mosher's chloride, (S)-(+)-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

(S)-(+)-α-Methoxy-α-trifluoromethylphenylacetyl chloride is commonly used as a derivatizing agent in Mosher ester analysis and Mosher amide analysis, which are NMR-based methods for determining the absolute configuration of the chiral carbon center in secondary alcohols and amines, respectively.

Specifications

Sinónimos

(R)-(-)--Methoxy--(trifluoromethyl)phenylacetic acid chloride | (s)-alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride | PS-10920 | (+)-(alphaS)-alpha-Methoxy-alpha-(trifluoromethyl)benzeneacetyl chloride | (+)-MTPA-Cl | Mosher's chloride, (S)-(+)-

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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Pureza

≥98%(GC)

Nombres e identificadores

• Sonrisas canónicas: COC(C1=CC=CC=C1)(C(=O)Cl)C(F)(F)F
• IUPAC Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride
• InChIKey: PAORVUMOXXAMPL-SECBINFHSA-N
• INCHI: 1S/C10H8ClF3O2/c1-16-9(8(11)15,10(12,13)14)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m1/s1
• Isómeros SMILES: CO[C@](C1=CC=CC=C1)(C(=O)Cl)C(F)(F)F
• WGK Alemania: 3
• Número ONU: 3265
• Peso molecular: 252.62
• Beilstein: 3591562
• Reaxy-Rn: 2215441
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2215441&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Dialkyl ethers Acyl chlorides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Acyl chloride - Acyl halide - Dialkyl ether - Ether - Organic oxygen compound - Organochloride - Organohalogen compound - Organofluoride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organic oxide - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Slightly miscible with water
• Sensibilidad: Moisture Sensitive,Heat sensitive
• Índice de refracción: 1.468-1.47
• Rotación específica [α]: 149 ° (C=2, Toluene)
• Punto de inflamación (°F): 192.2 °F
• Punto de inflamación (°C): 90 °C
• Punto de ebullición (°C): 213-214°C
• Peso molecular: 252.620 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 252.016 Da
• Monoisotopic Mass: 252.016 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 261.000
• 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

Referencias

1. Qingyun Peng, Wenjia Huang, Xiao Zhang, Xiaoyan Pang, Yunan Liu, Wu Ruan, Qun Li, Li Ding, Huizi Jin, Dehua Yang, Junfeng Wang, Ming-Wei Wang.  (2025)  Structurally Diverse New Metabolites from Three Hadal Trench-Derived Microorganisms.  ACS Omega,      [PMID:39989804] [10.1021/acsomega.4c11083]

2. Guangli Deng, Wu Ruan, Qun Li, Qingyun Peng, Yunan Liu, Lingbin Lin, Yuan Li, Qianqian Shen, Yangrong Zhao, Ming-Wei Wang.  (2026)  Novel Marine Fungus-Derived Mycophenolic Acids That Inhibit Acute Myeloid Leukemia Cell Proliferation.  Marine Drugs,  24  (3):   [PMID:] [10.3390/md24030108]