Product Name

  • Name

    beta-(2-methoxyphenoxy)lactic acid

  • EINECS
  • CAS No. 13057-65-3
  • Article Data4
  • CAS DataBase
  • Density 1.302 g/cm3
  • Solubility
  • Melting Point
  • Formula C10H12O5
  • Boiling Point 355.8°Cat760mmHg
  • Molecular Weight 212.202
  • Flash Point 139.8°C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 13057-65-3 (beta-(2-methoxyphenoxy)lactic acid)
  • Hazard Symbols
  • Synonyms Lacticacid, 3-(o-methoxyphenoxy)- (7CI,8CI);b-(2-Methoxyphenoxy)lactic acid;beta-(2-methoxyphenoxy)lactic acid;
  • PSA 75.99000
  • LogP 0.51950

Synthetic route

sodium 2-methoxyphenolate
13052-77-2

sodium 2-methoxyphenolate

3-chloro-2-hydroxypropanoic acid
1713-85-5

3-chloro-2-hydroxypropanoic acid

CVT-4786
13057-65-3

CVT-4786

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

guaifenesin

CVT-4786
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%
guaifenesin
93-14-1

guaifenesin

A

(2-methoxyphenoxy)acetic acid
1878-85-9

(2-methoxyphenoxy)acetic acid

B

CVT-4786
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%
2-methoxy-phenol
90-05-1

2-methoxy-phenol

CVT-4786
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
diazomethane
186581-53-3, 908094-01-9

diazomethane

CVT-4786
13057-65-3

CVT-4786

C11H14O5

C11H14O5

Conditions
ConditionsYield
In methanol; diethyl ethern/a

2-Hydroxy-3-(2-methoxyphenoxy)propanoic acid Chemical Properties

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

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