(1R)-3-chloro-1-phenylpropan-1-ol
Names and Identifiers of (1R)-3-chloro-1-phenylpropan-1-ol
CAS Number |
100306-33-0 |
|---|---|
EC Number |
627-168-3 |
MDL Number |
MFCD00075128 |
IUPAC Name |
(1R)-3-chloro-1-phenylpropan-1-ol |
InChI |
InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m1/s1 |
InChIKey |
JZFUHAGLMZWKTF-SECBINFHSA-N |
Canonical SMILES |
C1=CC=C(C=C1)C(CCCl)O |
Isomeric SMILES |
C1=CC=C(C=C1)[C@@H](CCCl)O |
UNSPSC Code |
12352100 |
Physical and chemical properties of (1R)-3-chloro-1-phenylpropan-1-ol
Acidity coefficient |
13.92±0.20(Predicted) |
|---|---|
Boiling Point |
296.4±20.0 °C at 760 mmHg |
BRN |
5250766 |
Density |
1.1±0.1 g/cm3 |
Exact Mass |
170.049850 |
Flash Point |
132.0±17.2 °C |
Index of Refraction |
1.544 |
LogP |
2.19 |
Melting Point |
58-60ºC |
Molecular Formula |
C9H11ClO |
Molecular Weight |
170.636 |
optical activity |
[α]24/D +26°, c = 1 in chloroform |
PSA |
20.23000 |
Solubility |
Chloroform (Slightly), Methanol (Slightly) |
Specific rotation |
26 º (c=1, chloroform) |
Storage condition |
2~8°C |
Vapour Pressure |
0.0±0.7 mmHg at 25°C |
Safety Information of (1R)-3-chloro-1-phenylpropan-1-ol
Applications of (1R)-3-chloro-1-phenylpropan-1-ol
(R)-(+)-3-Chloro-1-phenyl-1-propanol finds applications primarily in:
- Pharmaceutical Industry: As an intermediate in the synthesis of antidepressants and other therapeutic agents.
- Chemical Research: Utilized in various synthetic pathways to develop new compounds with potential biological activities.
- Analytical Chemistry: Employed as a standard reference material for analytical purposes due to its well-defined chemical properties.
Interaction Studies of (1R)-3-chloro-1-phenylpropan-1-ol
Interaction studies involving (R)-(+)-3-Chloro-1-phenyl-1-propanol focus on its reactivity with biological molecules. Research indicates that it may interact with neurotransmitter systems due to its role as a precursor in the synthesis of psychoactive drugs. Additionally, studies on its toxicity reveal that it poses risks such as skin irritation and potential eye damage, necessitating further investigation into its safety profile when used in pharmaceutical formulations.
Biological Activity of (1R)-3-chloro-1-phenylpropan-1-ol
(R)-(+)-3-Chloro-1-phenyl-1-propanol exhibits notable biological activities, particularly in the field of medicinal chemistry. It has been identified as a building block for synthesizing various pharmaceuticals, including antidepressants like (R)- and (S)-tomoxetine, which are used to treat attention deficit hyperactivity disorder and depression. Additionally, it has been reported to possess skin and eye irritation properties, indicating that safety precautions are necessary when handling this compound.
Physical sample testing spectrum (NMR) of (1R)-3-chloro-1-phenylpropan-1-ol
