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About This Item
Linear Formula:
C6H5CH(OH)CH3
CAS Number:
Molecular Weight:
122.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
202-707-1
Beilstein/REAXYS Number:
1905149
MDL number:
Assay:
98%
vapor density
4.21 (vs air)
Quality Level
vapor pressure
0.1 mmHg ( 20 °C)
assay
98%
refractive index
n20/D 1.527 (lit.)
bp
204 °C/745 mmHg (lit.)
mp
19-20 °C (lit.)
density
1.012 g/mL at 25 °C (lit.)
SMILES string
CC(O)c1ccccc1
InChI
1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
InChI key
WAPNOHKVXSQRPX-UHFFFAOYSA-N
Application
- 1-Phenylethanol can be used in the acid catalyzed Ritter reaction to synthesize various N-benzylacetamides.
- It is one of the key precursors for the synthesis of [60] fullerene-fused isochroman derivatives via palladium-catalyzed hydroxyl-directed cyclization.
- It is used in Friedlander synthesis of quinolines where 1-phenylethanol reacts with 2-aminobenzylic alcohol derivatives to yield corresponding quinones.
- It can also be used in the regioselective, iridium-catalyzed multicomponent synthesis of pyrimidines.
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signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 1
flash_point_f
187.9 °F - Pensky-Martens closed cup
flash_point_c
86.6 °C - Pensky-Martens closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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The Ritter reaction under truly catalytic Br?nsted acid conditions.
Sanz R, et al.
European Journal of Organic Chemistry, 2007(28), 4642-4645 (2007)
FeCl3-catalyzed Ritter reaction. Synthesis of amides.
Anxionnat B, et al.
Tetrahedron Letters, 50(26), 3470-3473 (2009)
A sustainable multicomponent pyrimidine synthesis.
Deibl N, et al.
Journal of the American Chemical Society, 137(40), 12804-12807 (2015)
