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2-(4-Methoxyphenoxy)propanoic acid

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Name

2-(4-Methoxyphenoxy)propanoic acid

EINECS 604-052-0
CAS No. 13794-15-5 Density 1.185 g/cm3
PSA 55.76000 LogP 1.54710
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 N/A 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;

Article Data 22

2-(4-Methoxyphenoxy)propanoic acid Synthetic route

111479-08-4, 958238-90-9

ethyl 2-(4-methoxyphenoxy)propanoate

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%
150-76-5

4-methoxy-phenol

598-72-1

2-Bromopropionic 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
17639-93-9

2-chloro-propionic acid methyl ester

150-76-5

4-methoxy-phenol

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
69033-92-7

2-(4-Methoxyphenoxy)propionsaeuremethylester

13794-15-5

2-(4-methoxyphenoxy)propanoic acid

Conditions
ConditionsYield
With water; lithium hydroxide In tetrahydrofuran

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

13794-15-5

2-(4-methoxyphenoxy)propanoic acid

Conditions
ConditionsYield
With phosphoric acid82%
150-76-5

4-methoxy-phenol

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
150-76-5

4-methoxy-phenol

598-78-7

(R,S)-2-chloropropionic acid

13794-15-5

2-(4-methoxyphenoxy)propanoic acid

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

4-methoxy-phenol

tetraethylene glycol ditoluene-p-sulphonate or tetraethylene glycol dimethanesulphonate

tetraethylene glycol ditoluene-p-sulphonate or tetraethylene glycol dimethanesulphonate

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
150-76-5

4-methoxy-phenol

535-11-5, 41978-69-2

Ethyl 2-bromopropionate

13794-15-5

2-(4-methoxyphenoxy)propanoic acid

13794-15-5

2-(4-methoxyphenoxy)propanoic acid

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 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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