| Identification | More | [Name]
Methyl 2-chlorophenylacetate | [CAS]
57486-68-7 | [Synonyms]
2-CHLOROPHENYLACETIC ACID METHYL ESTER
METHYL 2-(2-CHLOROPHENYL)ACETATE
METHYL 2-CHLOROPHENYLACETATE
Methyl 2-(2-chlorophenyl)acetate ,98%
2-Chlorobenzeneacetic acid methyl ester
2-Chloro Phenyl acetic Acid Methyl Ester , (Methyl 2-chlorophenylagetate) | [EINECS(EC#)]
260-764-8 | [Molecular Formula]
C9H9ClO2 | [MDL Number]
MFCD00137445 | [Molecular Weight]
184.62 | [MOL File]
57486-68-7.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless liquid | [Boiling point ]
128 °C / 23mmHg | [density ]
1.21 | [refractive index ]
1.524-1.526
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Liquid | [color ]
Clear colorless | [Detection Methods]
GC,NMR | [InChI]
InChI=1S/C9H9ClO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3 | [InChIKey]
KHBWTRFWQROKJZ-UHFFFAOYSA-N | [SMILES]
C1(CC(OC)=O)=CC=CC=C1Cl | [CAS DataBase Reference]
57486-68-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
WGK 3 | [HS Code ]
29163990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless liquid | [Synthesis]
To a solution of o-chlorophenylacetic acid (1.04 g, 6 mmol) in methanol (25 mL) was added concentrated sulfuric acid (6 drops) and the reaction mixture was heated to reflux for 16 hours. Upon completion of the reaction, the methanol was removed by concentration under reduced pressure, and the residue was dissolved in ethyl acetate and washed with saturated aqueous sodium bicarbonate, water and saturated aqueous sodium chloride in that order. The organic layer was dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give o-chlorophenylacetic acid methyl ester (1.08 g, yield 97.5%) as a light yellow oil.GC-MS (EI) m/z: 184, 186 [M+]. | [References]
[1] Bioorganic and Medicinal Chemistry, 2003, vol. 11, # 13, p. 2843 - 2866
[2] Tetrahedron Letters, 2003, vol. 44, # 2, p. 331 - 334
[3] Patent: WO2005/7165, 2005, A1. Location in patent: Page 43
[4] Patent: WO2005/7633, 2005, A1. Location in patent: Page 30-31
[5] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 20, p. 5515 - 5518 |
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