| Identification | More | [Name]
(S)-3-Chloro-1-phenyl-1-propanol | [CAS]
100306-34-1 | [Synonyms]
3-CHLORO-1-PHENYL-1-PROPANOL
ALPHA-(2-CHLOROETHYL)-BENZYL ALCOHOL
(S)-(-)-3-CHLORO-1-PHENYL-1-PROPANOL
(S)-(-)-3-CHLORO-1-PHENYL-1-PROPANOL, 98 % (99% EE/GLC)
S(-)-3-CHLORO-1-PHENYLPROPANOL
(aS)-α-(2-Chloroethyl)benzenemethanol
α-(2-Chloroethyl)benzenemethanol
(S)-()-α-(2-Chloroethyl)benzyl alcohol
(aS)-a-(2-Chloroethyl)benzenemethanol
a-(2-Chloroethyl)benzenemethanol
α-(2-Chloroethyl)benzyl alcohol, (S)-(-)-α-(2-Chloroethyl)benzyl alcohol, (S)-(-)-3-Chloro-1-phenylpropanol | [EINECS(EC#)]
626-422-0 | [Molecular Formula]
C9H11ClO | [MDL Number]
MFCD00013309 | [Molecular Weight]
170.64 | [MOL File]
100306-34-1.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powde | [Melting point ]
58-60 °C (lit.) | [Boiling point ]
296 °C | [density ]
1.149 | [Fp ]
132 °C | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
Chloroform (Sparingly), Methanol (Slightly) | [form ]
Solid | [pka]
13.92±0.20(Predicted) | [color ]
White to Off-White | [Optical Rotation]
[α]19/D 25°, c = 1 in chloroform | [InChI]
InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m0/s1 | [InChIKey]
JZFUHAGLMZWKTF-VIFPVBQESA-N | [SMILES]
C1C=C([C@@H](O)CCCl)C=CC=1 | [CAS DataBase Reference]
100306-34-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R38:Irritating to the skin.
R37:Irritating to the respiratory system.
R36:Irritating to the eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S39:Wear eye/face protection .
S37:Wear suitable gloves . | [WGK Germany ]
3
| [HS Code ]
29062990 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powde | [Uses]
(S)-(-)-3-Chloro-1-phenyl-1-propanol (cas# 100306-34-1) is a compound useful in organic synthesis. | [Synthesis]
The general procedure for the synthesis of (S)-(-)-3-chloro-1-phenyl-1-propanol from 3-chloropropiophenone was as follows: 3.36 g (40.0 mmol) of potassium formate (HCOOK) was used as a hydrogen source under argon protection, 2.609 mg (4.0 μmol) of Cp*IrCl[(S,S)-MsDPEN] was used as a catalyst, and 1.349 g (8.0 mmol) β-chloropropiophenone in a 20 mL Schlenk tube. 2 mL of water and 2 mL of toluene were added to the reaction system and the resulting mixture was stirred at 50 °C for 24 hours. Upon completion of the reaction, the organic phase was washed three times with 3 mL of water, followed by distillation under reduced pressure to remove toluene to give optically active (S)-(-)-3-chloro-1-phenyl-1-propanol. The optical purity of the product was confirmed by GC analysis to be 85% ee in 94% yield. | [References]
[1] Patent: US2009/62573, 2009, A1. Location in patent: Page/Page column 7; 14
[2] Organic and Biomolecular Chemistry, 2014, vol. 12, # 6, p. 1009 - 1017
[3] Patent: KR2015/116956, 2015, A. Location in patent: Paragraph 0176-0179
[4] Patent: KR2016/44117, 2016, A. Location in patent: Paragraph 0063-0066
[5] Organic and Biomolecular Chemistry, 2011, vol. 9, # 10, p. 3854 - 3862 |
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