685852
(S)-1-(4-氟苯基)乙醇
97%
别名:
S-1-(4′-氟苯基)-1-乙醇
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关于此项目
线性分子式:
FC6H4CH(CH3)OH
化学文摘社编号:
分子量:
140.15
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352101
MDL number:
产品名称
(S)-1-(4-氟苯基)乙醇, 97%
InChI
1S/C8H9FO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m0/s1
SMILES string
C[C@H](O)c1ccc(F)cc1
InChI key
PSDSORRYQPTKSV-LURJTMIESA-N
assay
97%
form
liquid
optical activity
[α]20/D -49.0°, c = 1 in chloroform
refractive index
n20/D 1.502
density
1.111 g/mL at 25 °C
functional group
fluoro
hydroxyl
Application
(S)-4-Fluoro-α-methylbenzyl alcohol can be used as a starting material to synthesize a CCR5 antagonist named MLN1251.Along with its ortho- and non-fluorine substituted analogs, it can be used to study the role of fluorine substitution in chiral discrimination in molecular complexes.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
10 - Combustible liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
新产品
此项目有
Expedient synthesis of MLN1251, a CCR5 antagonist for treatment of HIV
Ronn M, et al.
Organic Process Research & Development, 11(2), 241-245 (2007)
The effect of fluorine substitution on chiral recognition: interplay of CH? pi, OH? pi and CH? F interactions in gas-phase complexes of 1-aryl-1-ethanol with butan-2-ol
Ciavardini A, et al.
Physical Chemistry Chemical Physics, 15(44), 19360-19370 (2013)
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