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Home> Encyclopedia >Pharmaceutical Intermediates>Organic Intermediate>Organic Intermediates
D-Plenylglycinol structure
D-Plenylglycinol structure

D-Plenylglycinol

Iupac Name:(2R)-2-amino-2-phenylethanol
CAS No.: 56613-80-0
Molecular Weight:137.182
Modify Date.: 2023-03-06 10:29
Introduction: As a chiral arylalkylamine used as organocatalysts, D-Plenylglycinol can be used in the synthesis and chiral recognition properties of novel fluorescent chemosensors for amino acid. D-Plenylglycinol Preparation Products And Raw materials Preparation Products View more+
1. Names and Identifiers
1.1 Name
D-Plenylglycinol
1.2 Synonyms

(-)-(R)-β-Aminobenzeneethanol (-)-2-Amino-2-phenylethanol (-)-D-α-Phenylglycinol (-)-Phenylglycinol (1R)-2-Hydroxy-1-phenylethanaminium (2R)-2-Amino-2-phenyl-1-ethanol (2R)-2-Amino-2-phenylethan-1-ol (2R)-2-Amino-2-phenylethanol (R)-(-)-2-Amino-2-phenylethanol (R)-(-)-2-Phenyl-2-aminoethanol (R)-(-)-2-Phenylglycinol (R)-(-)-Phenylglycinol (R)-2-Amino-2-phenylethan-1-ol (R)-2-Amino-2-phenylethanol (R)-2-Phenylglycinol (R)-Phenylglycinol (R)-α-Phenylglycinol (βR)-β-Aminobenzeneethanol [(R)-2-Hydroxy-1-phenylethyl]amine BENZENEETHANOL, B-AMINO-, (BR)- Benzeneethanol, β-amino-, (R)- Benzeneethanol, β-amino-, (βR)- Benzenemethanaminium, α-(hydroxymethyl)-, (αR)- D-(-)-2-Amino-2-phenylethanol D-(-)2-AMINO-2-PHENYLETHANOL D(-)-ALPHA-PHENYLGLYCINOL D-(-)-A-PHENYLGLYCINOL D-(-)-α-Phenylglycinol D-PHENYLGLYCINOL D-PHG-OL D-α-Phenylglycinol H-D-PHG-OL

1.3 CAS No.
56613-80-0
1.4 CID
2724025
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-/m0/s1
1.8 InChkey
IJXJGQCXFSSHNL-QMMMGPOBSA-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
75-77℃
2.1 Boiling point
261 °C at 760 mmHg
2.1 Refractive index
-29.5 ° (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 powde
2.2 Storage
Air Sensitive. Store under Nitrogen. Ambient temperatures.
2.3 Chemical Properties
white to light yellow crystal powde
2.4 Color/Form
White to Yellow Solid
2.5 pKa
12.51±0.10(Predicted)
2.6 Water Solubility
Slightly soluble in water.
2.7 Stability
Stable under normal temperatures and pressures.
2.8 StorageTemp
Store at 0-5°C
3. Use and Manufacturing
3.1 Usage
As a chiral arylalkylamine used as organocatalysts, D-Plenylglycinol can be used in the synthesis and chiral recognition properties of novel fluorescent chemosensors for amino acid. D-Plenylglycinol Preparation Products And Raw materials Preparation Products
4. Safety and Handling
4.1 Hazard Codes
T; C
4.1 Risk Statements
R34
4.1 Safety Statements
S24/25
4.1 RIDADR
OTH
4.1 WGK Germany
3
4.1 Safety

Hazard Codes:?CorrosiveC,ToxicT
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.
WGK Germany: 3
F: 2-10
HS Code: 29221980

4.2 Sensitive
Air Sensitive
4.3 Specification

?D-Plenylglycinol , with CAS number of 56613-80-0, can be called Benzeneethanol,b-amino-, (R)- ; (-)-(R)-b-Aminobenzeneethanol ; (2R)-2-Amino-2-phenyl-1-ethanol ; (R)-(-)-2-Amino-2-phenylethanol ; (R)-Phenylglycinol ; (bR)-b-Aminobenzeneethanol ; D-(-)-2-Amino-2-phenylethanol ; [(R)-2-Hydroxy-1-phenylethyl]amine . 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

8. Other Information
8.0 Usage
Amino alcohol used to prepare a chiral imine or oxazolidine from ethyl trifluoropyruvate. These intermediates were then employed in a synthesis of both enantiomers of α-trifluoromethylproline. Chiral β-amino alcohol used as a synthetic building block.
9. 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==
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