3-(3-(Trifluoromethyl)phenyl)propan-1-ol
- Product Name
- 3-(3-(Trifluoromethyl)phenyl)propan-1-ol
- CAS No.
- 78573-45-2
- Chemical Name
- 3-(3-(Trifluoromethyl)phenyl)propan-1-ol
- Synonyms
- Cinacalcet I;Cinacalcet USP RC E;Sinacase Impurity 48;Cinacalcet InterMediates;Cinacalcet Intermediate 1;CICALCET-ALCOHOL IMPURITY;Cinacalcet Alcohol Impurity;Cinacalcet Related Compound E;Cinacalcet USP Related Compound E;Cinacalcet Hydrochloride iMpuritL
- CBNumber
- CB4842637
- Molecular Formula
- C10H11F3O
- Formula Weight
- 204.19
- MOL File
- 78573-45-2.mol
3-(3-(Trifluoromethyl)phenyl)propan-1-ol Property
- Boiling point:
- 68-71℃/0.4mm
- Density
- 1.10
- refractive index
- 1.4620 to 1.4660
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 15.04±0.10(Predicted)
- form
- Liquid
- color
- Colorless
- InChI
- InChI=1S/C10H11F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7,14H,2,4,6H2
- InChIKey
- QWXKQVIMGVVIBX-UHFFFAOYSA-N
- SMILES
- C1(CCCO)=CC=CC(C(F)(F)F)=C1
Safety
- HS Code
- 2906290090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- T3095
- Product name
- 3-[3-(Trifluoromethyl)phenyl]-1-propanol
- Purity
- >98.0%(GC)
- Packaging
- 1g
- Price
- $43
- Updated
- 2025/07/31
- Product number
- T3095
- Product name
- 3-[3-(Trifluoromethyl)phenyl]-1-propanol
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $168
- Updated
- 2025/07/31
- Product number
- T791110
- Product name
- 3-(Trifluoromethyl)benzenepropanol
- Packaging
- 5g
- Price
- $460
- Updated
- 2021/12/16
- Product number
- CS-M0619
- Product name
- 3-(3-(trifluoromethyl)phenyl)propan-1-ol
- Purity
- 99.94%
- Packaging
- 10g
- Price
- $63
- Updated
- 2021/12/16
- Product number
- W8452
- Product name
- 3-(3-(Trifluoromethyl)phenyl)propan-1-ol
- Packaging
- 5g
- Price
- $104
- Updated
- 2021/12/16
3-(3-(Trifluoromethyl)phenyl)propan-1-ol Chemical Properties,Usage,Production
Chemical Properties
Brown Oil
Uses
3-(Trifluoromethyl)benzenepropanol-d4 is an intermediate in the synthesis of Cinacalcet-d4 Hydrochloride (C441803), a labeled analogue of Cinacalcet Hydrochloride (C441800), the (R) enantiomer of Cinacalcet which is used in clinical trial in secondary hyperparathyroidism.
Definition
ChEBI: 3-[3-(trifluoromethyl)phenyl]propan-1-ol is an organofluorine compound that is 3-phenylpropan-1-ol bearing a trifluoromethyl group at position 3 on the phenyl ring. It is an organofluorine compound and a member of propan-1-ols.
Synthesis
65126-85-4
78573-45-2
To a solution of 14.5 g (72.5 mmol) of purified 3-(3-trifluoromethylphenyl)propargyl alcohol in 50 mL of 2-propanol was added 0.38 g of 10% Pd/C (Selcat Q6). The reaction mixture was subjected to hydrogenation at a temperature of 42-45°C and a pressure of 5 bar until all feedstocks were completely converted (about 5 hours). Upon completion of the reaction, it was filtered to remove the catalyst and the catalyst was washed with a small amount of 2-propanol. Subsequently, the filtrate was concentrated by evaporation under reduced pressure. The crude product obtained (14.5 g, 100.0%) was purified by distillation under reduced pressure, resulting in 10.5 g (yield: 72.1%) of the target product 3-(3-trifluoromethylphenyl)propanol as an almost colorless oil (boiling point: 58-60 °C/1.1-1.5 mbar).
References
[1] Organic Letters, 2019, vol. 21, # 1, p. 65 - 69
[2] Patent: US2010/267988, 2010, A1. Location in patent: Page/Page column 4
[3] Patent: EP2327684, 2011, A1. Location in patent: Page/Page column 6
[4] Patent: US2011/124917, 2011, A1. Location in patent: Page/Page column 3
3-(3-(Trifluoromethyl)phenyl)propan-1-ol Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-(3-(Trifluoromethyl)phenyl)propan-1-ol manufacturers
- Product
- 3-(3'-Trifluoromethylphenyl)propanol 78573-45-2
- Price
- US $0.00-0.00/Kg/Drum
- Min. Order
- 1KG
- Purity
- 98%min
- Supply Ability
- 10000KGS
- Release date
- 2021-11-08
- Product
- 3-(3'-TRIFLUOROMETHYL PHENYL) PROPANOL 78573-45-2
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 500000kg
- Release date
- 2024-10-29
- Product
- 3-(3'-TRIFLUOROMETHYL PHENYL) PROPANOL 78573-45-2
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-10-19