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96562-58-2

Basic Information
CAS No.: 96562-58-2
Name: Methyl (R)-(+)-2-(4-hydroxyphenoxy)propanoate
Article Data: 6
Molecular Structure:
Molecular Structure of 96562-58-2 (Methyl (R)-(+)-2-(4-hydroxyphenoxy)propanoate)
Formula: C10H12O4
Molecular Weight: 196.203
Synonyms: Propanoicacid, 2-(4-hydroxyphenoxy)-, methyl ester, (R)-;(R)-2-(4-Hydroxyphenoxy)propionic acid methyl ester;Methyl(+)-2-(4-hydroxyphenoxy)propionate;Methyl (R)-2-(4-hydroxyphenoxy)propionate;
EINECS: 411-950-4
Density: 1.187 g/cm3
Melting Point: 64-67 °C(lit.)
Boiling Point: 313.4 °C at 760 mmHg
Flash Point: 121.6 °C
Solubility: 13.46g/L at 20℃
Appearance: Liquid.
Hazard Symbols: IrritantXi
Risk Codes: 41-52/53
Safety: 26-39-61
PSA: 55.76000
LogP: 1.33250
Synthetic route
67-56-1

methanol

94050-90-5

(R)-2-(4-hydroxyphenoxy)propionic acid

96562-58-2

(R)-(+)-2-(4-hydroxyphenoxy)propionic acid methyl ester

Conditions
ConditionsYield
With catalyst prepared from tetra-N-propyl zirconate, n-propanol, r-Al2O3, H2PtCl6, and (NH4)2SO4 In toluene at 110℃; for 2h; Reagent/catalyst;95.2%
With sulfuric acid In toluene at 70℃; for 3h;90%
73246-45-4

methyl-(S)-2-chloropropionate

123-31-9

hydroquinone

96562-58-2

(R)-(+)-2-(4-hydroxyphenoxy)propionic acid methyl ester

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 80 - 90℃; for 3h; Temperature;95%
123-31-9

hydroquinone

96562-58-2

(R)-(+)-2-(4-hydroxyphenoxy)propionic acid methyl ester

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 80 - 90℃; for 3h;95%
60075-04-9

(RS)-methyl 2-(4-hydroxyphenoxy)propionate

A

105118-15-8

(S)-(-)-2-(4-hydroxyphenoxy)propionic acid

B

96562-58-2

(R)-(+)-2-(4-hydroxyphenoxy)propionic acid methyl ester

Conditions
ConditionsYield
With Aspergillus oryzae WZ007; sodium hydroxide In water at 35℃; pH=7; Enzymatic reaction;A 86.5%
B 88.4%
With lyophilized mycelium of Aspergillus oryzae WZ007 In aq. phosphate buffer at 30℃; pH=8; Enzymatic reaction; enantioselective reaction;A n/a
B n/a
111842-06-9

methyl (R)-2-(4-acetoxyphenoxy)propionate

96562-58-2

(R)-(+)-2-(4-hydroxyphenoxy)propionic acid methyl ester

Conditions
ConditionsYield
With hydrogenchloride In methanol96% (94-95% enantiomeric excess)
123-31-9

hydroquinone

A

105118-15-8

(S)-(-)-2-(4-hydroxyphenoxy)propionic acid

B

96562-58-2

(R)-(+)-2-(4-hydroxyphenoxy)propionic acid methyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: potassium hydroxide / dimethyl sulfoxide / 0 - 30 °C / Inert atmosphere
2: lyophilized mycelium of Aspergillus oryzae WZ007 / aq. phosphate buffer / 30 °C / pH 8 / Enzymatic reaction
View Scheme
Multi-step reaction with 2 steps
1.1: sodium sulfite; sodium methylate / methanol / 0.5 h / 30 °C / Inert atmosphere
1.2: 6 h / Inert atmosphere
2.1: Aspergillus oryzae WZ007; sodium hydroxide / water / 35 °C / pH 7 / Enzymatic reaction
View Scheme
96562-58-2

(R)-(+)-2-(4-hydroxyphenoxy)propionic acid methyl ester

94050-90-5

(R)-2-(4-hydroxyphenoxy)propionic acid

Conditions
ConditionsYield
With sodium hydroxide In water at 20℃; for 3h;92.3%
2620-50-0

1,3-benzodioxol-5-ylmethyl amine

96562-58-2

(R)-(+)-2-(4-hydroxyphenoxy)propionic acid methyl ester

N-benzo[1,3]dioxol-5-ylmethyl-2-(4-hydroxy-phenoxy)-propionamide

Conditions
ConditionsYield
for 4.5h; Heating;87%
615-43-0

2-iodophenylamine

96562-58-2

(R)-(+)-2-(4-hydroxyphenoxy)propionic acid methyl ester

(R)-2-(4-hydroxyphenoxy)-N-(2-iodophenyl)propanamide

Conditions
ConditionsYield
Stage #1: 2-iodophenylamine With diisobutylaluminium hydride In tetrahydrofuran; hexane at 0℃; for 0.5h; Inert atmosphere;
Stage #2: (R)-(+)-2-(4-hydroxyphenoxy)propionic acid methyl ester In tetrahydrofuran; hexane at 0 - 20℃; for 12h; Inert atmosphere;
87%
Stage #1: 2-iodophenylamine With diisobutylaluminium hydride In tetrahydrofuran; hexane at 0℃; for 0.5h; Inert atmosphere;
Stage #2: (R)-(+)-2-(4-hydroxyphenoxy)propionic acid methyl ester In tetrahydrofuran; hexane at 20℃; for 12h; Inert atmosphere;
87%
18671-97-1

2,6-dichloroquinoxaline

96562-58-2

(R)-(+)-2-(4-hydroxyphenoxy)propionic acid methyl ester

76578-71-7

(R)-(+)-methyl-2-[4-(6-chloro-2-quinoxalinyloxy)-phenoxy]-propionate

Conditions
ConditionsYield
With potassium carbonate In acetonitrile Heating;85.2%
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  • Methyl (R) -2- (4-hydroxyphenoxy) Propionate CAS No. 96562-58-2

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Chemistry

Molecular structure of Propanoic acid,2-(4-hydroxyphenoxy)-, methyl ester, (2R)- (CAS NO.96562-58-2) is:

Product Name: Propanoic acid,2-(4-hydroxyphenoxy)-, methyl ester, (2R)-
CAS Registry Number: 96562-58-2
IUPAC Name: methyl (2R)-2-(4-hydroxyphenoxy)propanoate
Molecular Weight: 196.19988 [g/mol]
Molecular Formula: C10H12O4
XLogP3-AA: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 4
Melting Point: 64-67 °C(lit.)
Surface Tension: 41.9 dyne/cm
Density: 1.187 g/cm3
Flash Point: 121.6 °C
Enthalpy of Vaporization: 57.65 kJ/mol
Boiling Point: 313.4 °C at 760 mmHg
Vapour Pressure: 0.000271 mmHg at 25°C
EINECS: 411-950-4
Product Categories: Aromatic Propionic Acids;Heterocyclic Compounds;API intermediates;CHIRAL COMPOUNDS;Chiral Building Blocks;Esters;Organic Building Blocks

Safety Profile

Safty information about Propanoic acid,2-(4-hydroxyphenoxy)-, methyl ester, (2R)- (CAS NO.96562-58-2) is:
Hazard Codes: IrritantXi
Risk Statements: 41-52/53 
R41:Risk of serious damage to the eyes. 
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 26-39-61 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S39:Wear eye / face protection. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
WGK Germany: 2

Specification

 Propanoic acid,2-(4-hydroxyphenoxy)-, methyl ester, (2R)- , its cas register number is 96562-58-2. It also can be called Methyl (R)-(+)-2-(4-hydroxyphenoxy)propanoate .It is a liquid.