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Cas Database |
| Name |
(S)-(-)-2-Phenylglycinol |
EINECS | N/A |
| CAS No. | 56613-81-1 | Density | 1.104 g/cm3 |
| PSA | 46.25000 | LogP | 1.37900 |
| Solubility | N/A | Melting Point |
57-59°C |
| Formula | C8H11NO | Boiling Point | 283.5 °C at 760 mmHg |
| Molecular Weight | 137.181 | Flash Point | 125.3 °C |
| Transport Information | UN 3259 8/PG 3 | Appearance | slightly yellow powder |
| Safety | 26-36/37/39-45 | Risk Codes | 22-34 |
| Molecular Structure |
|
Hazard Symbols |
 C;  Xi
|
| Synonyms |
Benzenemethanol,α-(aminomethyl)-, (S)-;(+)-(1S)-2-Amino-1-phenylethanol;(+)-2-Amino-1-phenylethanol;(+)-Phenylethanolamine;(+)-α-(Aminomethyl)benzenemethanol;(S)-(+)-2-Amino-1-phenylethanol;(S)-(+)-α-Phenylglycinol;(S)-1-Amino-2-phenyl-2-ethanol;(S)-2-Amino-1-phenylethanol;(S)-α-Phenylglycinol;(aS)-α-(Aminomethyl)benzenemethanol;[(S)-2-Hydroxy-2-phenylethyl]amine; |
Article Data | 46 |
(S)-(-)-2-Phenylglycinol Synthetic route
- 5468-37-1
2-aminoacetophenone hydrochloride
- 56613-81-1
(S)-2-Amino-1-phenyl-1-ethanol
| Conditions | Yield |
|---|---|
| With hydrogen; triethylamine; (2S,4S)-BCPM-rhodium In methanol at 50℃; under 15200 Torr; for 20h; | 100% |
| Multi-step reaction with 4 steps 1: pyridine / 10 h / Ambient temperature 2: 88 percent / NaBH4 / ethanol / 6 h / 0 °C 3: 42 percent / 4 Angstroem sieves / hexane; tetrahydrofuran / 240 h / 25 °C / lipase from Pseudomonas cepacia 4: 10percent aq. HCl / methanol View Scheme | |
| Multi-step reaction with 4 steps 1: pyridine / 10 h / Ambient temperature 2: 84 percent / NaBH4 / ethanol / 6 h / 0 °C 3: 43 percent / 4 Angstroem sieves / diisopropyl ether / 36 h / 25 °C / lipase from Pseudomonas cepacia 4: 10percent aq. HCl / methanol View Scheme | |
| Multi-step reaction with 4 steps 1: pyridine / 10 h / Ambient temperature 2: 90 percent / NaBH4 / ethanol / 6 h / 0 °C 3: 4 Angstroem sieves / hexane; tetrahydrofuran / 120 h / 25 °C / lipase from Pseudomonas cepacia 4: 10percent aq. HCl / methanol View Scheme | |
| Multi-step reaction with 4 steps 1: pyridine / 10 h / Ambient temperature 2: 93 percent / NaBH4 / ethanol / 6 h / 0 °C 3: 39 percent / 4 Angstroem sieves / hexane; tetrahydrofuran / 48 h / 25 °C / lipase from Pseudomonas cepacia 4: 10percent aq. HCl / methanol View Scheme |
- 124817-06-7
(S)-2-azido-1-phenylethanol
- 56613-81-1
(S)-2-Amino-1-phenyl-1-ethanol
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In methanol at 20℃; for 15h; | 99% |
| With hydrogen; sodium hydroxide In aq. phosphate buffer; water at 30℃; under 7500.75 Torr; for 4h; pH=9; Green chemistry; | 86% |
| With lithium aluminium tetrahydride In diethyl ether for 3h; Heating; | 80% |
- 56613-81-1
(S)-2-Amino-1-phenyl-1-ethanol
| Conditions | Yield |
|---|---|
| 92% |
- 149495-00-1
(S)-1-phenyl-2-nitroethanol
- 56613-81-1
(S)-2-Amino-1-phenyl-1-ethanol
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 760.051 Torr; for 24h; | 92% |
| With palladium 10% on activated carbon; hydrogen In methanol at 20℃; for 24h; |
- 56613-81-1
(S)-2-Amino-1-phenyl-1-ethanol
| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethanol; water for 18h; Reflux; enantioselective reaction; | 90% |
- 500763-83-7
(S)-(+)-(2-hydroxy-2-phenyl-ethyl)-carbamic acid benzyl ester
- 56613-81-1
(S)-2-Amino-1-phenyl-1-ethanol
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In ethanol at 20℃; under 760 Torr; for 8h; | 88% |
- 70111-05-6
(S)-2-chloro-1-phenylethanol
- 56613-81-1
(S)-2-Amino-1-phenyl-1-ethanol
| Conditions | Yield |
|---|---|
| With ammonium hydroxide In methanol; water at 20℃; | 83% |
- 186343-35-1
(S)-5-phenyl-1,3-oxazolidine-2-one
- 56613-81-1
(S)-2-Amino-1-phenyl-1-ethanol
| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethanol Heating; | 79% |
- 4358-86-5, 4410-31-5, 24008-62-6, 24008-63-7
(S)-mandelamide
- 56613-81-1
(S)-2-Amino-1-phenyl-1-ethanol
| Conditions | Yield |
|---|---|
| With LiAlH In tetrahydrofuran 1.) reflux, 8 h, 2.) r.t., overnight; | 59% |
| With lithium aluminium tetrahydride In tetrahydrofuran for 72h; Heating; | 30% |
| With borane-THF In tetrahydrofuran for 12h; Heating; |
- 24008-63-7
L-(+)-mandelamide
- 56613-81-1
(S)-2-Amino-1-phenyl-1-ethanol
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In tetrahydrofuran 1) 4h reflux 2) r.t.; | 54% |
(S)-(-)-2-Phenylglycinol Specification
The (S)-(-)-2-Phenylglycinol, with the CAS registry number 56613-81-1, has the systematic name of (1S)-2-amino-1-phenylethanol. It is a kind of slightly yellow powder, and belongs to the product category of Pharmacetical. And the molecular formula of this chemical is C8H11NO. What's more, it should be stored in sealed containers, and should keep dry and cool at the same time.
The physical properties of (S)-(-)-2-Phenylglycinol are as followings: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.5; (4)ACD/LogD (pH 7.4): -1.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.01; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 40.87 cm3; (15)Molar Volume: 124.1 cm3; (16)Polarizability: 16.2 10-24cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.104 g/cm3; (19)Flash Point: 125.3 °C; (20)Enthalpy of Vaporization: 55.18 kJ/mol; (21)Boiling Point: 283.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00148 mmHg at 25°C.
You should be cautious while dealing with this chemical. It may cause burns, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H](c1ccccc1)CN
(2)InChI: InChI=1/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/t8-/m1/s1
(3)InChIKey: ULSIYEODSMZIPX-MRVPVSSYBX
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