ChemicalBook--->CAS DataBase List--->6342-77-4

6342-77-4

6342-77-4 Structure

6342-77-4 Structure
IdentificationMore
[Name]

3-(2-METHOXYPHENYL)PROPIONIC ACID
[CAS]

6342-77-4
[Synonyms]

2-METHOXYHYDROCINNAMIC ACID
3-(2-METHOXYPHENYL)PROPANOIC ACID
3-(2-METHOXYPHENYL)PROPIONIC ACID
3-(O-METHOXYPHENYL)PROPIONIC ACID
AKOS BC-2706
BETA-(O-METHOXYPHENYL)PROPIONIC ACID
O-METHOXYHYDROCINNAMIC ACID
TIMTEC-BB SBB003749
Benzenepropanoic acid, 2-methoxy-
Benzenpropionic acid, 2-methoxy
3-(2-Methoxyphenyl)propionic acid, 98+%
3-(2-METHOXYPHENYL)-PROPIONIC ACID 98%
2-Methoxybenzenepropanoic acid
2-Methoxybenzenepropionic acid
[EINECS(EC#)]

228-738-0
[Molecular Formula]

C10H12O3
[MDL Number]

MFCD00002772
[Molecular Weight]

180.2
[MOL File]

6342-77-4.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE FINE CRYSTALLINE POWDER
[Melting point ]

85-87 °C (lit.)
[Boiling point ]

273.02°C (rough estimate)
[density ]

1.1272 (rough estimate)
[refractive index ]

1.5160 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

pK1:4.804 (25°C)
[BRN ]

2097012
[InChI]

InChI=1S/C10H12O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
[InChIKey]

XSZSNLOPIWWFHS-UHFFFAOYSA-N
[SMILES]

C1(CCC(O)=O)=CC=CC=C1OC
[CAS DataBase Reference]

6342-77-4(CAS DataBase Reference)
Safety DataBack Directory
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29189990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-METHOXYCINNAMIC ACID-->2-Methoxycinnamic acid-->2-Methoxyhydrocinnamic acid methyl ester-->Potassium hydroxide-->Hydrogen
[Preparation Products]

4-METHOXY-1-INDANONE-->3-(2-METHOXY-PHENYL)-PROPIONYL CHLORIDE-->3-(2-METHOXY-PHENYL)-PROPIONALDEHYDE
Hazard InformationBack Directory
[Chemical Properties]

WHITE FINE CRYSTALLINE POWDER
[Definition]

ChEBI: 3-(2-Methoxyphenyl)propanoic acid is a monocarboxylic acid and a member of benzenes.
[Synthesis]

2-METHOXYCINNAMIC ACID

1011-54-7

3-(2-METHOXYPHENYL)PROPIONIC ACID

6342-77-4

GENERAL METHOD: (E)-3-(2-methoxyphenyl)acrylic acid (1.0 mmol, 0.148 g), catalyst BPPd(0)Si (5 mol%, 0.0836 g), and KOH (1.0 eq., 5 mL of 0.2 M solution) were added to the reaction mixture and reacted under hydrogen (1 atm) atmosphere. After the reaction mixture was stirred at room temperature for 30 min, the catalyst was removed by filtration and the filtrate was washed with 10 mL of water and ethyl acetate. The pH of the filtrate was adjusted to 2-3 with 1 N HCl. Subsequently, the organic phase was collected by solvent extraction with ethyl acetate and dried with MgSO4. The dried organic phase was concentrated under reduced pressure and the resulting crude product was purified by silica gel column chromatography and the final product was structurally confirmed by 1H NMR spectroscopy.

[References]

[1] Journal of Organometallic Chemistry, 2017, vol. 846, p. 296 - 304
[2] Tetrahedron, 1989, vol. 45, # 5, p. 1441 - 1446
[3] Journal of Medicinal Chemistry, 1993, vol. 36, # 20, p. 2891 - 2898
[4] Bioorganic Chemistry, 2018, vol. 80, p. 408 - 421
[5] Bioorganic and Medicinal Chemistry Letters, 2000, vol. 10, # 14, p. 1519 - 1522
Spectrum DetailBack Directory
[Spectrum Detail]

3-(2-METHOXYPHENYL)PROPIONIC ACID(6342-77-4)MS
3-(2-METHOXYPHENYL)PROPIONIC ACID(6342-77-4)1HNMR
3-(2-METHOXYPHENYL)PROPIONIC ACID(6342-77-4)13CNMR
3-(2-METHOXYPHENYL)PROPIONIC ACID(6342-77-4)IR1
3-(2-METHOXYPHENYL)PROPIONIC ACID(6342-77-4)IR2
3-(2-METHOXYPHENYL)PROPIONIC ACID(6342-77-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-(2-Methoxyphenyl)propionic acid, 98%(6342-77-4)
[Alfa Aesar]

3-(2-Methoxyphenyl)propionic acid, 98+%(6342-77-4)
[Sigma Aldrich]

6342-77-4(sigmaaldrich)
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