Product Name

  • Name

    SODIUM 2-(4-METHOXYPHENOXY)PROPIONATE

  • EINECS 604-052-0
  • CAS No. 13794-15-5
  • Article Data22
  • CAS DataBase
  • Density 1.185 g/cm3
  • Solubility Soluble in water and propylene glycol, slightly soluble in fat
  • Melting Point 92-94 °C
  • Formula C10H12O4
  • Boiling Point 331.6 °C at 760 mmHg
  • Molecular Weight 196.203
  • Flash Point 130.3 °C
  • Transport Information
  • Appearance white to pale cream, crystalline solid
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 13794-15-5 (SODIUM 2-(4-METHOXYPHENOXY)PROPIONATE)
  • Hazard Symbols IrritantXi
  • Synonyms Propionic acid,2-(p-methoxyphenoxy)- (6CI,7CI,8CI);2-(4-Methoxyphenoxy)propionic acid;2-(p-Methoxyphenoxy)propionic acid;Lactisol;NSC 352144;
  • PSA 55.76000
  • LogP 1.54710

Synthetic route

ethyl 2-(4-methoxyphenoxy)propanoate
111479-08-4, 958238-90-9

ethyl 2-(4-methoxyphenoxy)propanoate

2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

Conditions
ConditionsYield
With potassium hydroxide In ethanol; water at 0℃; for 4h;99%
Stage #1: ethyl 2-(4-methoxyphenoxy)propanoate With water; potassium hydroxide In ethanol for 0.75h; Reflux;
Stage #2: With hydrogenchloride In water		92%
Stage #1: ethyl 2-(4-methoxyphenoxy)propanoate With sodium hydroxide In methanol; water at 20℃; for 12h;
Stage #2: With hydrogenchloride In water		89%
4-methoxy-phenol
150-76-5

4-methoxy-phenol

2-Bromopropionic acid
598-72-1

2-Bromopropionic acid

2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

Conditions
ConditionsYield
With sodium hydroxide In ethanol at 80℃; for 24h;81%
With sodium hydroxide for 1h; Heating;77%
With sodium hydroxide
2-chloro-propionic acid methyl ester
17639-93-9

2-chloro-propionic acid methyl ester

4-methoxy-phenol
150-76-5

4-methoxy-phenol

2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

Conditions
ConditionsYield
With sodium hydroxide79%
With water; potassium iodide; sodium hydroxide at 60 - 90℃; for 12h; Reagent/catalyst; Temperature; Large scale;14.28 kg
2-(4-Methoxyphenoxy)propionsaeuremethylester
69033-92-7

2-(4-Methoxyphenoxy)propionsaeuremethylester

2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

Conditions
ConditionsYield
With water; lithium hydroxide In tetrahydrofuran
(±)-2-(p-methoxyphenoxy)propionic acid sodium salt

(±)-2-(p-methoxyphenoxy)propionic acid sodium salt

2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

Conditions
ConditionsYield
With phosphoric acid82%
4-methoxy-phenol
150-76-5

4-methoxy-phenol

2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 88 percent / sodium hydride / tetrahydrofuran / 14 h / 20 °C
2: 99 percent / potassium hydroxide / ethanol; H2O / 4 h / 0 °C
View Scheme
Multi-step reaction with 2 steps
1: NaH / hexamethylphosphoric acid triamide; tetrahydrofuran / 60 °C
2: 82 percent / 85percent H3PO4
View Scheme
Multi-step reaction with 2 steps
1: potassium carbonate / N,N-dimethyl-formamide / 5 h / 20 °C / Inert atmosphere
2: water; sodium hydroxide / tetrahydrofuran / 3 h / 80 °C / Inert atmosphere
View Scheme
4-methoxy-phenol
150-76-5

4-methoxy-phenol

(R,S)-2-chloropropionic acid
598-78-7

(R,S)-2-chloropropionic acid

2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

Conditions
ConditionsYield
With sodium hydroxide In water for 20h; Heating;
4-methoxy-phenol
150-76-5

4-methoxy-phenol

tetraethylene glycol ditoluene-p-sulphonate or tetraethylene glycol dimethanesulphonate

tetraethylene glycol ditoluene-p-sulphonate or tetraethylene glycol dimethanesulphonate

2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: potassium carbonate / acetone / 10 h / Heating
2: 10 percent sodium hydroxide / H2O / Heating
View Scheme
4-methoxy-phenol
150-76-5

4-methoxy-phenol

Ethyl 2-bromopropionate
535-11-5, 41978-69-2

Ethyl 2-bromopropionate

2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

2-(4'-methoxyphenoxy)propanoic acid chloride
92818-05-8

2-(4'-methoxyphenoxy)propanoic acid chloride

Conditions
ConditionsYield
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 6h; Inert atmosphere;99%
With thionyl chloride In N,N-dimethyl-formamide for 1h; Heating;69%
With thionyl chloride at 90℃; for 1.5h;
With oxalyl dichloride; N-methyl-N-phenylformamide In dichloromethane at 20℃; for 5h;
With thionyl chloride at 74℃; for 2h; Inert atmosphere;
2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

5-amino-2-(pyridin-4-yl)-1,3-benzoxazole
349609-85-4

5-amino-2-(pyridin-4-yl)-1,3-benzoxazole

2-(4-methoxyphenoxy)-N-(2-(pyridine-4-yl)benzo[d]oxazol-5-yl)propanamide
1434516-80-9

2-(4-methoxyphenoxy)-N-(2-(pyridine-4-yl)benzo[d]oxazol-5-yl)propanamide

Conditions
ConditionsYield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 0 - 20℃; for 12h; Inert atmosphere;73%
2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

A

carbon monoxide
201230-82-2

carbon monoxide

B

acetaldehyde
75-07-0

acetaldehyde

C

4-methoxy-phenol
150-76-5

4-methoxy-phenol

Conditions
ConditionsYield
at 326.85℃; Kinetics;
...Expand
2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

butan-1-ol
71-36-3

butan-1-ol

(R)-2-(4-Methoxy-phenoxy)-propionic acid butyl ester

(R)-2-(4-Methoxy-phenoxy)-propionic acid butyl ester

Conditions
ConditionsYield
With L-alanin; Candida rugosa lipase In di-isopropyl ether at 37℃; for 59h;
2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

2-(4-methoxyphenoxy)acetic acid
1877-75-4

2-(4-methoxyphenoxy)acetic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 17 percent / 2,6-lutidine; LiClO4 / acetonitrile / Electrochemical reaction
2: 65 percent / aq. NaOH / 16 h / 80 °C
View Scheme
2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

α-(4-methoxyphenoxy)-2-methylpropionic acid
17509-54-5

α-(4-methoxyphenoxy)-2-methylpropionic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 17 percent / 2,6-lutidine; LiClO4 / acetonitrile / Electrochemical reaction
2: 70 percent / NaOH; H2O / acetone / 18 h / 20 °C
View Scheme
2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

3,3-dimethyl-1,4-dioxospiro[4.5]deca-6,9-diene-2,8-dione
65110-04-5

3,3-dimethyl-1,4-dioxospiro[4.5]deca-6,9-diene-2,8-dione

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 17 percent / 2,6-lutidine; LiClO4 / acetonitrile / Electrochemical reaction
2: 70 percent / NaOH; H2O / acetone / 18 h / 20 °C
3: 24 percent Chromat. / LiClO4 / acetonitrile / Electrochemical reaction
View Scheme
Multi-step reaction with 3 steps
1: 17 percent / 2,6-lutidine; LiClO4 / acetonitrile / Electrochemical reaction
2: 70 percent / NaOH; H2O / acetone / 18 h / 20 °C
3: 61 percent / pyridine; LiClO4 / acetonitrile; H2O / Electrochemical reaction
View Scheme
2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

4-methoxy-phenol
150-76-5

4-methoxy-phenol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 17 percent / 2,6-lutidine; LiClO4 / acetonitrile / Electrochemical reaction
2: 65 percent / aq. NaOH / 16 h / 80 °C
3: 23 percent / 2,6-lutidine; LiClO4 / acetonitrile / Electrochemical reaction
View Scheme
2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

A

p-benzoquinone
106-51-4

p-benzoquinone

B

2-butenyl cobaloxime complex

2-butenyl cobaloxime complex

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 17 percent / 2,6-lutidine; LiClO4 / acetonitrile / Electrochemical reaction
2: 65 percent / aq. NaOH / 16 h / 80 °C
3: 12 percent / 2,6-lutidine; LiClO4 / acetonitrile / Electrochemical reaction
View Scheme
Multi-step reaction with 3 steps
1: 17 percent / 2,6-lutidine; LiClO4 / acetonitrile / Electrochemical reaction
2: 70 percent / NaOH; H2O / acetone / 18 h / 20 °C
3: 7 percent Chromat. / LiClO4 / acetonitrile / Electrochemical reaction
View Scheme
2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

ethyl 2-(4-methoxyphenoxy)propanoate
111479-08-4, 958238-90-9

ethyl 2-(4-methoxyphenoxy)propanoate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 17 percent / 2,6-lutidine; LiClO4 / acetonitrile / Electrochemical reaction
2: 65 percent / aq. NaOH / 16 h / 80 °C
3: 23 percent / 2,6-lutidine; LiClO4 / acetonitrile / Electrochemical reaction
4: KI; K2CO3 / acetone / 22 h / Heating
View Scheme
Multi-step reaction with 2 steps
1: 17 percent / 2,6-lutidine; LiClO4 / acetonitrile / Electrochemical reaction
2: KI; K2CO3 / acetone / 22 h / Heating
View Scheme
2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

4'-methyl-2,6-di-tert-butylphenyl 2-(4"methoxyphenoxy)propanoate
92817-70-4

4'-methyl-2,6-di-tert-butylphenyl 2-(4"methoxyphenoxy)propanoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 69 percent / SOCl2 / dimethylformamide / 1 h / Heating
2: 45 percent / 1.5 M n-BuLi / tetrahydrofuran; hexane / -78 °C
View Scheme
2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

4'-methyl-2',6'-di-tert-butylphenyl (2RS,3SR)-3-hydroxy-2-methyl-2-(4"-methoxyphenoxy)-3-benzenepropanoate
92817-81-7

4'-methyl-2',6'-di-tert-butylphenyl (2RS,3SR)-3-hydroxy-2-methyl-2-(4"-methoxyphenoxy)-3-benzenepropanoate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 69 percent / SOCl2 / dimethylformamide / 1 h / Heating
2: 45 percent / 1.5 M n-BuLi / tetrahydrofuran; hexane / -78 °C
3: LDA / tetrahydrofuran / 0.5 h / -78 °C
View Scheme
2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

4'-methyl-2',6'-di-tert-butylphenyl (2RS,3SR)-2,4-dimethyl-3-hydroxy-2-(4"-methoxyphenoxy)hexanoate
92817-80-6

4'-methyl-2',6'-di-tert-butylphenyl (2RS,3SR)-2,4-dimethyl-3-hydroxy-2-(4"-methoxyphenoxy)hexanoate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 69 percent / SOCl2 / dimethylformamide / 1 h / Heating
2: 45 percent / 1.5 M n-BuLi / tetrahydrofuran; hexane / -78 °C
3: LDA / tetrahydrofuran / 0.5 h / -78 °C
View Scheme
2-(4-methoxyphenoxy)propanoic acid
13794-15-5

2-(4-methoxyphenoxy)propanoic acid

4'-methyl-2',6'-di-tert-butylphenyl (2RS,3RS)-2,4-dimethyl-3-hydroxy-2-(4"-methoxyphenoxy)hexanoate
92817-79-3

4'-methyl-2',6'-di-tert-butylphenyl (2RS,3RS)-2,4-dimethyl-3-hydroxy-2-(4"-methoxyphenoxy)hexanoate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 69 percent / SOCl2 / dimethylformamide / 1 h / Heating
2: 45 percent / 1.5 M n-BuLi / tetrahydrofuran; hexane / -78 °C
3: LDA / tetrahydrofuran / 0.5 h / -78 °C
View Scheme

2-(4-Methoxyphenoxy)propanoic acid Specification

The CAS registry number of Propanoic acid,2-(4-methoxyphenoxy)- is 13794-15-5. This chemical is also named as (±)-2-(p-Methoxyphenoxy)propionic acid. In addition, its molecular formula is C10H12O4 and molecular weight is 196.2. Its systematic name and IUPAC name are the same which is called 2-(4-methoxyphenoxy)propanoic acid.

Physical properties about Propanoic acid,2-(4-methoxyphenoxy)- are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.55; (4)ACD/LogD (pH 7.4): -1.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.19; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.521; (13)Molar Refractivity: 50.39 cm3; (14)Molar Volume: 165.4 cm3; (15)Surface Tension: 41.2 dyne/cm; (16)Density: 1.185 g/cm3; (17)Flash Point: 130.3 °C; (18)Enthalpy of Vaporization: 60.62 kJ/mol; (19)Boiling Point: 331.6 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(Oc1ccc(OC)cc1)C
(2)InChI: InChI=1/C10H12O4/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9/h3-7H,1-2H3,(H,11,12)
(3)InChIKey: MIEKOFWWHVOKQX-UHFFFAOYAV

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