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| CAS No.: | 96562-58-2 |
|---|---|
| Name: | Methyl (R)-(+)-2-(4-hydroxyphenoxy)propanoate |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
|
| 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: |
 Xi
|
| Risk Codes: | 41-52/53 |
| Safety: | 26-39-61 |
| PSA: | 55.76000 |
| LogP: | 1.33250 |
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- 96949-46-12,4-dichloro-5-iodo-6-methylpyrimidine
- 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 80 - 90℃; for 3h; Temperature; | 95% |
- 20047-41-0, 57885-43-5, 5445-17-0, 62076-23-7
methyl (2S)-2-bromopropanoate
- 123-31-9
hydroquinone
- 96562-58-2
(R)-(+)-2-(4-hydroxyphenoxy)propionic acid methyl ester
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With hydrogenchloride In methanol | 96% (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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| for 4.5h; Heating; | 87% |
- 615-43-0
2-iodophenylamine
- 96562-58-2
(R)-(+)-2-(4-hydroxyphenoxy)propionic acid methyl ester
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With potassium carbonate In acetonitrile Heating; | 85.2% |
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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: 
Xi
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.