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CAS No.: | 13057-65-3 |
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Name: | beta-(2-methoxyphenoxy)lactic acid |
Article Data: | 4 |
Cas Database | |
Molecular Structure: | |
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Formula: | C10H12O5 |
Molecular Weight: | 212.202 |
Synonyms: | Lacticacid, 3-(o-methoxyphenoxy)- (7CI,8CI);b-(2-Methoxyphenoxy)lactic acid;beta-(2-methoxyphenoxy)lactic acid; |
Density: | 1.302 g/cm3 |
Boiling Point: | 355.8°Cat760mmHg |
Flash Point: | 139.8°C |
PSA: | 75.99000 |
LogP: | 0.51950 |
Conditions | Yield |
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With sodium hydride In tetrahydrofuran; mineral oil at 0℃; Reflux; | 74% |
guaifenesin
CVT-4786
Conditions | Yield |
---|---|
Stage #1: guaifenesin With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In aq. phosphate buffer; toluene at 25℃; for 0.0833333h; pH=6.8; Stage #2: With sodium hypochlorite; sodium chlorite In aq. phosphate buffer; water; toluene at 50℃; for 24h; pH=6.8; | 73% |
With 2,2,6,6-tetramethyl-piperidine-N-oxyl; sodium hypochlorite; sodium chlorite In water; acetonitrile at 35℃; aq. phosphate buffer; chemoselective reaction; | 37.4% |
Conditions | Yield |
---|---|
Stage #1: guaifenesin With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In aq. phosphate buffer; toluene at 25℃; pH=6.8; Stage #2: With sodium hypochlorite; sodium chlorite In aq. phosphate buffer; toluene at 50℃; for 24h; chemoselective reaction; | A 10 %Spectr. B 73% |
2-methoxy-phenol
CVT-4786
Conditions | Yield |
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Multi-step reaction with 2 steps 1: sodium hydride / tetrahydrofuran; mineral oil 2: sodium hydride / tetrahydrofuran; mineral oil / 0 °C / Reflux View Scheme |
Conditions | Yield |
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In methanol; diethyl ether | n/a |
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IUPAC Name: 2-Hydroxy-3-(2-methoxyphenoxy)propanoic acid
Synonyms of 2-Hydroxy-3-(2-methoxyphenoxy)propanoic acid (CAS NO.13057-65-3): beta-(2-Methoxyphenoxy)lactic acid ; Propanoic acid, 2-hydroxy-3-(2-methoxyphenoxy)-
CAS NO: 13057-65-3
Molecular Formula: C10H12O5
Molecular Weight: 212.20
Molecular Structure:
EINECS: 205-481-2
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 6
Polar Surface Area: 53.99 Å2
Index of Refraction: 1.55
Molar Refractivity: 51.93 cm3
Molar Volume: 162.9 cm3
Surface Tension: 51.2 dyne/cm
Density: 1.302 g/cm3
Flash Point: 139.8 °C
Enthalpy of Vaporization: 63.41 kJ/mol
Boiling Point: 355.8 °C at 760 mmHg
Vapour Pressure: 1.12E-05 mmHg at 25°C
SMILES: O=C(O)C(O)COc1ccccc1OC
InChI: InChI=1/C10H12O5/c1-14-8-4-2-3-5-9(8)15-6-7(11)10(12)13/h2-5,7,11H,6H2,1H3,(H,12,13)
InChIKey: MXVBBOLVTSAHEX-UHFFFAOYAI
Std. InChI: InChI=1S/C10H12O5/c1-14-8-4-2-3-5-9(8)15-6-7(11)10(12)13/h2-5,7,11H,6H2,1H3,(H,12,13)
Std. InChIKey: MXVBBOLVTSAHEX-UHFFFAOYSA-N