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64372-62-9

64372-62-9 Structure

64372-62-9 Structure
IdentificationMore
[Name]

2-Chloro-5-(trifluoromethyl)benzyl alcohol
[CAS]

64372-62-9
[Synonyms]

2-CHLORO-5-(TRIFLUOROMETHYL)BENZYL ALCOHOL
RARECHEM AL BD 0369
2-Chloro-5-Trifluoromethyl Benzylalcohol 2-Chloro-5-(Trifluoromethyl)benzyl Alcohol
2-Chloro-5-(trifluoromethyl)benzyl alcohol, 97+%
4-Chloro-3-(hydroxymethyl)benzotrifluoride
[Molecular Formula]

C8H6ClF3O
[MDL Number]

MFCD01631469
[Molecular Weight]

210.58
[MOL File]

64372-62-9.mol
Questions And AnswerBack Directory
[Synthesis]

Synthesis of 2-chloro-5-trifluoromethylbenzyl alcohol (2):

Synthetic route of 2-chloro-5-trifluoromethylbenzyl alcohol

In a 5L three-necked flask connected to a thermometer and a mechanical stirrer, 100g (0.45mol) of 2-chloro-5-trifluoromethylbenzoic acid was added, followed by 1L of tetrahydrofuran. The mixture was stirred in an ice bath at 0℃, and under N2 protection, 900mL (0.9mol) of borane-tetrahydrofuran was slowly added dropwise. After the addition was complete, the mixture was heated to reflux for 1.5h. After the reaction was complete, 6N HCl was slowly added dropwise until no more gas was released. Then, 1L of water was added, and the mixture was extracted with EtOAc (2 x 1L).

The organic phases were combined, dried over MgSO₄, and then evaporated to dryness to give a white solid, 2-chloro-5-trifluoromethylbenzyl alcohol (2), with a yield of 85%. In this method, the feed ratio of 2-chloro-5-trifluoromethylbenzoic acid : BH₃.THF = 1 : 2.
Chemical PropertiesBack Directory
[Melting point ]

57-60°C
[Fp ]

110°C
[storage temp. ]

Store at room temperature
[form ]

powder to crystal
[color ]

White to Almost white
[InChIKey]

VEKMDPQNERMQMO-UHFFFAOYSA-N
[CAS DataBase Reference]

64372-62-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[PackingGroup ]

[HS Code ]

29062990
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Uses]

2-Chloro-5-(trifluoromethyl)benzyl alcohol is a fluorine-containing benzyl alcohol compound, which can be used as an important chemical for the synthesis of pharmaceuticals and pesticides. 2-Chloro-5-(trifluoromethyl)benzyl alcohol is an intermediate of the Cholesterol Lipid Transfer Protein (CLTP) blocking agent, Anacetrapib.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Chloro-5-(trifluoromethyl)benzyl alcohol(64372-62-9)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Chloro-5-(trifluoromethyl)benzyl alcohol, 97+%(64372-62-9)
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