CAS No.56613-81-1,(S)-(-)-2-Phenylglycinol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	56613-81-1
Name:	(S)-(-)-2-Phenylglycinol
Article Data:	46

Formula:	C₈H₁₁NO
Molecular Weight:	137.181
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;
Density:	1.104 g/cm³
Melting Point:	57-59°C
Boiling Point:	283.5 °C at 760 mmHg
Flash Point:	125.3 °C
Appearance:	slightly yellow powder
Hazard Symbols:	C; Xi
Risk Codes:	22-34
Safety:	26-36/37/39-45
Transport Information:	UN 3259 8/PG 3
PSA:	46.25000
LogP:	1.37900

Synthetic route

: 5468-37-1
2-aminoacetophenone hydrochloride

: 56613-81-1
(S)-2-Amino-1-phenyl-1-ethanol

Conditions

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

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%

: (S)-(+)-2-benzylamino-1-(3-chlorophenyl)ethanol

: 56613-81-1
(S)-2-Amino-1-phenyl-1-ethanol

Conditions

Conditions	Yield
	92%

: 149495-00-1
(S)-1-phenyl-2-nitroethanol

: 56613-81-1
(S)-2-Amino-1-phenyl-1-ethanol

Conditions

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;

: (S)-2-succinimido-1-phenylethanol

: 56613-81-1
(S)-2-Amino-1-phenyl-1-ethanol

Conditions

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

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

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

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

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

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran 1) 4h reflux 2) r.t.;	54%

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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