Cas no 1445-91-6 ((1S)-1-phenylethan-1-ol)
(1S)-1-phenylethan-1-ol Chemical and Physical Properties
Names and Identifiers
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- (S)-1-Phenylethanol
- (-)-METHYL PHENYL CARBINOL
- (S)-(-)-1-METHYLBENZYL ALCOHOL
- (S)-(-)-1-PHENYLETHYL ALCOHOL
- (S)-(-)-ALPHA-METHYLBENZYL ALCOHOL
- (S)(-)-ALPHA-PHENETHYL ALCOHOL
- (S)-(-)-PHENYLETHANOL
- (S)-(-)-SEC-PHENETHYL ALCOHOL
- (S)-(-)-SEC-PHENYLETHYL ALCOHOL
- (S)-(-)-1-PHENYLETHANOL CHIRASELECT
- Benzenemethanol, α-methyl-, (αS)-
- (S)-(-)-1-Phenylethanol
- (S)-(?)-1-Phenylethanol
- (S)-1-Phenylethane-1-ol
- (S)-1-Phenylethyl Al
- (S)-1-Phenylethyl Alcohol
- (S)-(?)-1-Phenylethanol
- (S)-(-)-α-Methylbenzyl Alcohol
- (1S)-1-phenylethanol
- (1S)-1-Phenylethan-1-Ol
- 2MIC4QLY2X
- (S)-1-Phenethyl alcohol
- (s)-1-phenyl-1-ethanol
- (S)-1-phenylethan-1-ol
- (S)-alpha-methylbenzenemethanol
- (1S)-1-PHENYL-ETHANOL
- WAPNOHKVXSQRPX-ZETCQYMHSA-N
- [S]-1-phenylethanol
- 1-Phenylethanol #
- 1-Phenylethanol, (S)-
- (S)-(-)-sec-Phenethyl a
- BP-10717
- (AlphaS)-alpha-methylbenzenemethanol
- SS1
- (-)-.ALPHA.-PHENYLETHANOL
- CS-0007824
- (S)-(-)-1-Phenylethanol, 97%
- (-)-1-PHENYLETHYL ALCOHOL
- 1445-91-6
- CHEBI:16346
- P0796
- EN300-87752
- UNII-2MIC4QLY2X
- 1-phenyl-(1S)-ethan-1-ol
- CHEMBL348446
- s3365
- A808240
- (S)-(-)-1-Phenylethanol, for chiral derivatization, >=99.0%
- (-)-.ALPHA.-METHYLBENZYL ALCOHOL
- Benzenemethanol, .alpha.-methyl-, (.alpha.S)-
- (S)-(-)-1-Phenylethanol, ChiPros(R), produced by BASF, 98%
- (s)-1-phenyl-ethanol
- AKOS016842975
- (-)-(S)-1-PHENYLETHANOL
- Z360055168
- (S)-(-)-1-Phenylethanol, >=98.5% (sum of enantiomers, GC)
- S-1-PHENYLETHANOL
- Benzenemethanol, alpha-methyl-, (S)-
- AM84405
- NS00095828
- (-)-1-phenylethanol
- Benzenemethanol, a-methyl-, (aS)-
- (S)-PHENYLMETHYLCARBINOL
- (-)-.ALPHA.-PHENETHYL ALCOHOL
- Benzenemethanol, alpha-methyl-, (alphaS)-
- (1S)-1-phenylethanol;(S)-(-)-1-Phenylethanol
- 1-PHENYLETHANOL, (-)-
- J-007970
- MFCD00064264
- DTXSID4073259
- (-)-1-PHENYL-1-ETHANOL
- (-)-sec-phenethyl alcohol
- (S)-phenylethanol
- AS-13396
- F13077
- Q26841260
- HY-78093A
- (S)-(-)-1-Phenylethanol, for chiral derivatization
- J-501784
- SCHEMBL7144
- Benzenemethanol, .alpha.-methyl-, (S)-
- DB-009378
- doi:10.14272/WAPNOHKVXSQRPX-ZETCQYMHSA-N.1
- (1S)-1-phenylethan-1-ol
-
- MDL: MFCD00064264
- Inchi: 1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1
- InChI Key: WAPNOHKVXSQRPX-ZETCQYMHSA-N
- SMILES: O[C@@H](C)C1C=CC=CC=1
- BRN: 2039797
Computed Properties
- Exact Mass: 122.0732
- Monoisotopic Mass: 122.073
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 74.6
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.4
- Topological Polar Surface Area: 20.2
Experimental Properties
- Color/Form: Colorless liquid
- Density: 1.012?g/mL?at 20?°C(lit.)
- Melting Point: 9-11?°C (lit.)
- Boiling Point: 88-89?°C/10?mmHg(lit.)
- Flash Point: Degrees Fahrenheit:185°F
Degrees Celsius:85°C - Refractive Index: n20/D 1.527
- Solubility: 20g/l
- Water Partition Coefficient: 20 g/L (20 oC)
- PSA: 20.23
- LogP: 1.73990
- Specific Rotation: -42.5 o (neat)
- Optical Activity: [α]/D ?45±2°, c =?5% in methanol
- Solubility: Soluble in water, ethanol and glycerol.
(1S)-1-phenylethan-1-ol Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Danger
- Hazard Statement: H302,H315,H318
- Warning Statement: P280,P305+P351+P338
- Hazardous Material transportation number:UN 2937 6
- WGK Germany:3
- Hazard Category Code: 22-38-41
- Safety Instruction: 26-39
- RTECS:DO9275000
-
Hazardous Material Identification:
- HazardClass:6.1
- PackingGroup:III
- Storage Condition:Store at room temperature
- Risk Phrases:R22;R36/37/38
- Safety Term:S26;S37/39
- Packing Group:III
- Hazard Level:6.1
(1S)-1-phenylethan-1-ol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019109904-100g |
(S)-1-Phenylethanol |
1445-91-6 | 98% | 100g |
150.00 USD | 2021-06-17 | |
| S e l l e c k ZHONG GUO | S3365-100mg |
(S)-(-)-1-Phenylethanol |
1445-91-6 | 99.17% | 100mg |
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(S)-(-)-1-Phenylethanol, 99%, reagent grade |
1445-91-6 | 99% | 1G |
¥ 57 | 2022-04-26 | |
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(S)-(-)-1-Phenylethanol, 99%, reagent grade |
1445-91-6 | 99% | 5G |
¥ 99 | 2022-04-26 | |
| BAI LING WEI Technology Co., Ltd. | 452559-25G |
(S)-(-)-1-Phenylethanol, 99%, reagent grade |
1445-91-6 | 99% | 25G |
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(S)-(-)-1-Phenylethanol, 99%, reagent grade |
1445-91-6 | 99% | 100G |
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| BAI LING WEI Technology Co., Ltd. | 284516-1g |
(S)-(-)-1-Phenylethanol, 99%, for chiral derivatization |
1445-91-6 | 99% | 1g |
¥ 253 | 2022-04-26 | |
| BAI LING WEI Technology Co., Ltd. | 284516-5g |
(S)-(-)-1-Phenylethanol, 99%, for chiral derivatization |
1445-91-6 | 99% | 5g |
¥ 907 | 2022-04-26 | |
| BAI LING WEI Technology Co., Ltd. | 284516-25G |
(S)-(-)-1-Phenylethanol, 99%, for chiral derivatization |
1445-91-6 | 99% | 25G |
¥ 3791 | 2022-04-26 | |
| TRC | P296010-5g |
(S)-1-Phenylethyl Alcohol |
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(1S)-1-phenylethan-1-ol Suppliers
(1S)-1-phenylethan-1-ol Related Literature
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Amanda S. de Miranda,Marcus V. de M. Silva,Fernanda C. Dias,Stefania P. de Souza,Raquel A. C. Le?o,Rodrigo O. M. A. de Souza React. Chem. Eng. 2017 2 375
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Winnie Cao,Owen P. Missen,David R. Turner Inorg. Chem. Front. 2022 9 709
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Juan Liu,Soumya Mukherjee,Fei Wang,Roland A. Fischer,Jian Zhang Chem. Soc. Rev. 2021 50 5706
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Karl Z. Demmans,Chris S. G. Seo,Alan J. Lough,Robert H. Morris Chem. Sci. 2017 8 6531
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Camila M. Kisukuri,Leandro H. Andrade Org. Biomol. Chem. 2015 13 10086
Additional information on (1S)-1-phenylethan-1-ol
Chemical Profile of (1S)-1-phenylethan-1-ol (CAS No. 1445-91-6)
The compound (1S)-1-phenylethan-1-ol, identified by its CAS number 1445-91-6, is a significant molecule in the field of organic chemistry and pharmaceutical research. This chiral alcohol, also known as l-phenylethyl alcohol, has garnered attention due to its unique structural and functional properties. The enantiomeric purity of this compound is particularly crucial in medicinal chemistry, where stereochemistry often dictates the efficacy and safety of drug candidates.
In recent years, the demand for high-purity chiral intermediates has surged, driven by advancements in drug discovery and development. The synthesis and characterization of enantiomerically pure compounds like (1S)-1-phenylethan-1-ol have become cornerstone techniques in modern pharmaceutical research. This compound serves as a versatile building block for the synthesis of more complex molecules, including potential therapeutic agents.
The chemical structure of (1S)-1-phenylethan-1-ol consists of a phenyl group attached to an ethyl chain with an (S)-configuration at the chiral center. This configuration imparts specific interactions with biological targets, making it a valuable scaffold for designing novel pharmacophores. The compound's ability to participate in hydrogen bonding and other non-covalent interactions further enhances its utility in medicinal chemistry.
Recent studies have highlighted the role of (1S)-1-phenylethan-1-ol in the development of central nervous system (CNS) therapeutics. Its structural motif is found in several psychoactive compounds, suggesting potential applications in neuropharmacology. Researchers have explored its derivatives as candidates for treating neurological disorders, leveraging its chiral properties to modulate receptor binding affinities.
The synthesis of (1S)-1-phenylethan-1-ol typically involves asymmetric reduction or resolution techniques to achieve high enantiomeric purity. Advances in catalytic methods, such as transition metal-catalyzed reductions, have improved the efficiency and scalability of these processes. These innovations are critical for producing sufficient quantities of the compound for both research and industrial applications.
Analytical techniques play a pivotal role in characterizing the purity and stereochemistry of (1S)-1-phenylethan-1-ol. Chiral chromatography, nuclear magnetic resonance (NMR) spectroscopy, and mass spectrometry are commonly employed to confirm the identity and enantiomeric excess of the compound. Such rigorous analytical methods ensure that researchers can proceed with confidence in their synthetic and pharmacological studies.
In addition to its pharmaceutical applications, (1S)-1-phenylethan-1-ol has found utility in other areas of chemical research. Its role as a ligand in asymmetric catalysis has been explored, where it aids in controlling reaction outcomes through steric and electronic effects. This dual functionality makes it a valuable asset in both synthetic organic chemistry and medicinal chemistry.
The growing interest in green chemistry has also influenced the synthesis of (1S)-1-phenylethan-1-ol. Researchers are increasingly adopting environmentally friendly protocols that minimize waste and energy consumption. Such sustainable approaches align with global efforts to promote sustainable chemical manufacturing practices.
Future directions in the study of (1S)-1-phenylethan-1-ol may include exploring its biological activity further. Preclinical studies could investigate its potential as an intermediate for developing new drugs or as a tool compound for understanding enzyme mechanisms. The compound's unique properties make it a promising candidate for innovative research across multiple disciplines.
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