175840-70-7

Basic information

• Product Name: (R)-(+)-1 1 1-TRIFLUOROHEPTAN-2-OL 97
• Synonyms: (R)-(+)-1 1 1-TRIFLUOROHEPTAN-2-OL 97;(2R)-1,1,1-trifluoroheptan-2-ol
• CAS NO: 175840-70-7
• Molecular Formula: C7H13F3O
• Molecular Weight: 170.173
• Mol File: 175840-70-7.mol

Chemical Properties

• Boiling Point: 151-152 °C(lit.)
• Flash Point: 129 °F
• Appearance: /
• Density: 1.085 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.474mmHg at 25°C
• Refractive Index: n20/D 1.375(lit.)
• PKA: 12.67±0.20(Predicted)
• CAS DataBase Reference: (R)-(+)-1 1 1-TRIFLUOROHEPTAN-2-OL 97(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-(+)-1 1 1-TRIFLUOROHEPTAN-2-OL 97(175840-70-7)
• EPA Substance Registry System: (R)-(+)-1 1 1-TRIFLUOROHEPTAN-2-OL 97(175840-70-7)

Safety Data

• Statements: 10
• RIDADR: UN 1987 3/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 175840-70-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
(R)-(+)-1,1,1-TRIFLUOROHEPTAN-2-OL 97 is used as a chiral building block for the development of pharmaceuticals, contributing to the creation of new drugs with improved efficacy and selectivity.
Used in Agricultural Chemical Industry:
(R)-(+)-1,1,1-TRIFLUOROHEPTAN-2-OL 97 is used as a chiral building block for the synthesis of agricultural chemicals, enhancing the performance and selectivity of these compounds in pest control and crop protection.
Used in Organic Synthesis:
(R)-(+)-1,1,1-TRIFLUOROHEPTAN-2-OL 97 is used as a catalyst in various organic reactions, facilitating the development of new synthetic methods and improving the efficiency of chemical processes.
Used in Research and Development:
(R)-(+)-1,1,1-TRIFLUOROHEPTAN-2-OL 97 is used as a valuable tool in research and development, enabling scientists to explore new chemical pathways and create innovative compounds for various applications.

InChI:InChI=1/C7H13F3O/c1-2-3-4-5-6(11)7(8,9)10/h6,11H,2-5H2,1H3/t6-/m1/s1

Upstream product

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Relevant articles and documents

Study for the determination of the absolute configuration of fluoromethylated secondary alcohols by the modified Mosher method

Application of the modified Mosher method using high-field FT 1H NMR to the 2-methoxy-2-phenyl-2-trifluoromethyl acetic acid (MTPA) derivatives of fluorinated secondary alcohols indicates that this method may be generally used to determine the absolute configurations of these materials.

Syntheses of (R)- and (S)-enantiomeric 1,1,1-trifluoromethyl-2-alkanols with high enantiomeric purity controlled through derivatization with l-menthyl phthalate

Readily available l-menthyl phthalate has been shown to be an effective derivatizing agent for determination of the enantiomeric purity of alkyl- and aryl-substituted 1,1,1-trifluoromethyl-2-alkanols using HPLC and GC. It has been shown that a previously described protocol for one-step enzymatic kinetic resolution results in the formation of the desired 1,1,1-trifluoromethyl-2-alkanols with 96-98% ee. Enrichment of the (R)-isomer of trifluoromethyl alkanols by repetition of the enzymatic hydrolysis procedure was found to increase the ee up to 99.9%. Furthermore, excessive conversion of the corresponding esters during enzymatic hydrolysis allowed enantiomerically pure (S)-1,1,1-trifluoromethyl-2-alkanols to be obtained.

TRIFLUOROPROPENE OXIDE AS A TRIFLUOROMETHYL SOURCE. PREPARATION OF OPTICALLY ACTIVE ALCOHOLS

Optically active 3,3,3-trifluoropropene oxide (TFPO) was converted to 1,1,1-trifluoro-2-ols via Grignard type or Friedel-Crafts type reaction.The regio-selectivity of the latter reaction was discussed through an MO calculation.