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13057-65-3

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Basic Information
CAS No.: 13057-65-3
Name: beta-(2-methoxyphenoxy)lactic acid
Article Data: 4
Molecular Structure:
Molecular Structure of 13057-65-3 (beta-(2-methoxyphenoxy)lactic acid)
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
Related products
Synthetic route
13052-77-2

sodium 2-methoxyphenolate

1713-85-5

3-chloro-2-hydroxypropanoic acid

13057-65-3

CVT-4786

Conditions
ConditionsYield
With sodium hydride In tetrahydrofuran; mineral oil at 0℃; Reflux;74%
93-14-1

guaifenesin

13057-65-3

CVT-4786

Conditions
ConditionsYield
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%
93-14-1

guaifenesin

A

1878-85-9

(2-methoxyphenoxy)acetic acid

B

13057-65-3

CVT-4786

Conditions
ConditionsYield
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%
90-05-1

2-methoxy-phenol

13057-65-3

CVT-4786

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydride / tetrahydrofuran; mineral oil
2: sodium hydride / tetrahydrofuran; mineral oil / 0 °C / Reflux
View Scheme
186581-53-3, 908094-01-9

diazomethane

13057-65-3

CVT-4786

C11H14O5

Conditions
ConditionsYield
In methanol; diethyl ethern/a
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Chemistry

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