3D Mol Similar

(S)-(+)-2-Phenylglycinol

: Iupac Name：(2S)-2-amino-2-phenylethanol; CAS No.: 20989-17-7; Molecular Weight：137.182; Modify Date.: 2022-11-01 09:49; Introduction: (S)-(+)-2-Phenylglycinol is a chiral arylalkylamine used as organocatalysts. Used in the synthesis and chiral recognition properties of novel fluorescent chemosensors for amino acid. (S)-(+)-2-PhenylglycinolSupplier View more+

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1. Names and Identifiers

: 1.1 Name; (S)-(+)-2-Phenylglycinol; 1.2 Synonyms; (2S)-2-amino-2-phenyl-1-ethanol (2S)-2-Amino-2-phenylethanol (2S)-Phenylglycinol (S)-(+)-2-Amino-2-phenylethanol (S)-1-phenyl-2-hydroxyethylamine (S)-2-Amino-1-phenylethanol (S)-2-Amino-2-phenylethanol (S)-2-hydroxy-1-phenylethylamine (S)-2-Phenylglycinol (S)-Phenylglycinol Benzeneethanol, Β-amino-, (S)- Benzeneethanol, Β-amino-, (ΒS)- D-2-PHENYLGLYCINOL EINECS 260-287-5 H-L-PHG-OL H-PHENYLGLYCINOL H-PHG-OL L-(+)-ALPHA-PHENYLGLYCINOL L-(+)-A-PHENYLGLYCINOL L-(+)-α-Phenylglycinol L-2-PHENYLGLYCINOL L-beta-Aminophenethyl alcohol L-Phenylglycinol L-Plenylglycinol MFCD00064404 PHENYLGLYCINOL(L-); View all

1.3 CAS No.: 20989-17-7

1.4 CID: 134797

1.5 EINECS(EC#): 260-287-5

1.6 Molecular Formula: C8H11NO (isomer)

1.7 Inchi: InChI=1S/C8H11NO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/t8-/m1/s1

1.8 InChIkey: IJXJGQCXFSSHNL-MRVPVSSYSA-N

1.9 Canonical Smiles: C1=CC=C(C=C1)C(CO)N

1.10 Isomers Smiles: C1=CC=C(C=C1)[C@@H](CO)N

2. Properties

2.1 Density: 1.104

2.1 Melting point: 75-79℃

2.1 Boiling point: 261°C at 760 mmHg

2.1 Refractive index: 30 ° (C=1, EtOH)

2.1 Flash Point: 125.3°C

2.1 Precise Quality: 137.08400

2.1 PSA: 46.25000

2.1 logP: 1.37900

2.1 Appearance: white to light yellow crystal powder

2.2 Storage: 0-5℃

2.3 Chemical Properties: white to light yellow crystal powde

2.4 Color/Form: Pale-yellow to Yellow-brown Solid

2.5 pKa: 12.51±0.10(Predicted)

2.6 Water Solubility: Soluble in chloroform, dimethylsulfoxide and methanol. Limited solubility in water.

2.7 StorageTemp: Keep in dark place,Sealed in dry,Room Temperature

3. Use and Manufacturing

3.1 Usage: (S)-(+)-2-Phenylglycinol is a chiral arylalkylamine used as organocatalysts. Used in the synthesis and chiral recognition properties of novel fluorescent chemosensors for amino acid. (S)-(+)-2-PhenylglycinolSupplier

4. Safety and Handling

4.1 Hazard Codes: C

4.1 Risk Statements: R34

4.1 Safety Statements: S26;S36/37/39;S45

4.1 RIDADR: NONH for all modes of transport

4.1 WGK Germany: 3

4.1 Safety: Risk Statements: 34-36/37/38-23/24/25
R34:Causes burns.?
R36/37/38:Irritating to eyes, respiratory system and skin.?
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-24/25-45-36/37/39-26
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.?
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Hazard Codes:?C,T
WGK Germany: 3
F: 2-10

4.2 Sensitive: Air Sensitive

4.3 Specification: ?(S)-(+)-2-Phenylglycinol , with CAS number of 20989-17-7, can be called (R)/(S)-Phenylglycinol ; 2-Amino-2-pheynlethanol ; Benzeneethanol, beta-amino-, (S)- ; (2S)-2-amino-2-phenyl-ethanol ; (S)-(+)-2-Amino-2-phenylethanol ; (S)-(+)-2-Pheny ; S-(+)-2-Phenylglycinol (>=99%) ; (S)-(-)-2-Phenylalanine ; L-(+)-2-Phenylglycinol ; (S)-(+)-2-Amino-2-Phenylethanol; (S)-(+)-2- . It is a?white to light yellow crystal powde.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : in CDCl3

1H NMR : 400 MHz in CDCl3

IR : KBr disc

IR : nujol mull

Mass

7. Synthesis Route

20989-17-7Total: 38 Synthesis Route

96-09-3 41 Suppliers

20989-17-7 287 Suppliers

7568-93-6 46 Suppliers

Literatures:
Journal of Organic Chemistry, , vol. 19, p. 1444,1445 Archiv der Pharmazie (Weinheim, Germany), , vol. 292, p. 761,769, 775
Yield: null

96-09-3 41 Suppliers

79365-85-8

20989-17-7 287 Suppliers

7568-93-6 46 Suppliers

Literatures:
Tetrahedron Letters, , vol. 48, # 51 p. 8967 - 8971
Yield: null

100-46-9 180 Suppliers

20989-17-7 287 Suppliers

Literatures:
Synthetic Communications, , vol. 19, # 19 p. 3337 - 3342
Yield: null

View all

8. Precursor and Product

precursor:

16355-00-3

1613-90-7

15028-39-4

20989-17-7

100-52-7

96-09-3

126927-38-6

20780-53-4

1437-78-1

88026-82-8

127718-96-1

2935-35-5

217650-36-7

133522-24-4

100-46-9

126923-25-9

122-78-1

6591-61-3

69350-13-6

130406-31-4

582-24-1

126003-96-1

15962-49-9

View all

product :

6273-87-6

56613-80-0

185250-39-9

180999-20-6

20989-17-7

86217-38-1

6273-59-2

875-74-1

1052209-96-7

14006-77-0

143140-06-1

136329-39-0

1908-90-3

194156-28-0

914299-79-9

99395-88-7

132098-59-0

1499-00-9

582-24-1

5398-63-0

131457-46-0

62779-70-8

View all

9. Other Information

9.0 BRN: 3196190

9.1 Chemical Properties: white to light yellow crystal powde

9.2 Uses: (S)-(+)-2-Phenylglycinol is a chiral arylalkylamine used as organocatalysts. Used in the synthesis and chiral recognition properties of novel fluorescent chemosensors for amino acid.

9.3 Usage: (S)-(+)-2-Phenylglycinol is used in the synthesis of chiral, unsymmetrical bisoxazolines. It is used as a reagent for the resolution of acids via the easily hydrolyzed amides.

10. Computational chemical data

Molecular Weight: 137.182g/mol
Molecular Formula: C₈H₁₁NO
Compound Is Canonicalized: True
XLogP3-AA: 0.1
Exact Mass: 137.084063974
Monoisotopic Mass: 137.084063974
Complexity: 89.3
Rotatable Bond Count: 2
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 46.2
Heavy Atom Count: 10
Defined Atom Stereocenter Count: 1
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccByIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADCjhmAYwAIBAAgCAAiBCAACCAAAgAAAIiIAABIgKMCKAkRGAYABk0AEIiAeQwKAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

11. Question & Answer

What are the applications of (S)-(+)-2-Phenylglycinol? May 28 2023
(S)-(+)-2-Phenylglycinol, also known as (S)-(+)-2-Phenylglycinol, is a white or off-white crystalline solid powder with moderate water solubility. It is a commonly used chiral organic synthesis reagen..
What are the basic properties of (S)-(+)-2-Phenylglycinol? Mar 11 2023
(S)-(+)-2-Phenylglycinol can be used as an intermediate for vitamin-like drugs, making it highly valuable in the pharmaceutical industry. However, it can also be considered for use in other industries..

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