ChemicalBook--->CAS DataBase List--->55954-23-9

55954-23-9

55954-23-9 Structure

55954-23-9 Structure
IdentificationMore
[Name]

Methyl 2,4-dichlorophenylacetate
[CAS]

55954-23-9
[Synonyms]

2,4-DICHLOROPHENYLACETIC ACID METHYL ESTER
METHYL 2,4-DICHLOROPHENYLACETATE
METHYL 2,4-DICHLOROPHENYLACETATE, 100MG, NEAT
METHYL-2,4-DICHLOROPHENYLACETATE,1X1ML,A CETONE 100UG/ML
2,4-dcaa methyl ester
47339
methyl 2,4-dichlorophenylacetate solution
2,4-DICHLOROPHENYLACETIC ACID METHYL ESTER STANDARD
[EINECS(EC#)]

611-334-7
[Molecular Formula]

C9H8Cl2O2
[MDL Number]

MFCD00018381
[Molecular Weight]

219.06
[MOL File]

55954-23-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to yellow liquid
[Boiling point ]

153°C/27mmHg(lit.)
[density ]

1.3295 (rough estimate)
[refractive index ]

1.539-1.542
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Liquid
[color ]

Clear colorless to yellow
[CAS DataBase Reference]

55954-23-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn,N,F
[Risk Statements ]

R22:Harmful if swallowed.
R67:Vapors may cause drowsiness and dizziness.
R65:Harmful: May cause lung damage if swallowed.
R62:Possible risk of impaired fertility.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R48/20:Harmful: danger of serious damage to health by prolonged exposure through inhalation .
R38:Irritating to the skin.
R11:Highly Flammable.
R66:Repeated exposure may cause skin dryness or cracking.
R36/38:Irritating to eyes and skin .
R36:Irritating to the eyes.
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36/37:Wear suitable protective clothing and gloves .
S33:Take precautionary measures against static discharges .
S29:Do not empty into drains .
S16:Keep away from sources of ignition-No smoking .
S9:Keep container in a well-ventilated place .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

UN 2810 6.1/PG 3
[HS Code ]

29163900
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to yellow liquid
[Synthesis]

Methanol

67-56-1

2,4-Dichlorophenylacetic acid

19719-28-9

Methyl 2,4-dichlorophenylacetate

55954-23-9

General procedure for the synthesis of methyl 2,4-dichlorophenylacetate from methanol and 2,4-dichlorophenylacetic acid: to a solution of 2,4-dichlorophenylacetic acid (3.5 g, 17.1 mmol) in methanol (100 mL) was slowly added concentrated sulfuric acid (20 drops). The reaction mixture was heated to reflux for 12 hours. Upon completion of the reaction, the solvent was removed by rotary evaporator under reduced pressure. The residue was diluted with cold water (50 mL) and extracted with ethyl acetate (3 x 50 mL). The organic layers were combined and washed sequentially with saturated sodium bicarbonate solution (50 mL) and saturated saline (50 mL), then dried with anhydrous sodium sulfate and filtered. The solvent was again removed by rotary evaporator under reduced pressure to obtain the crude product. The crude product was purified by silica gel column chromatography (eluent ratio 4:1 hexane/ethyl acetate) to afford methyl 2,4-dichlorophenylacetate (3.56 g, 95% yield) as a clear oil. The structure of the product was confirmed by 1H NMR (DMSO-d6): δ 7.40 (s, 1H), 7.22 (d, J=1.5 Hz, 2H), 3.74 (s, 2H), 3.71 (s, 3H).

[References]

[1] Bioorganic and Medicinal Chemistry, 2003, vol. 11, # 13, p. 2843 - 2866
[2] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 1, p. 245 - 249
[3] Patent: US2016/31892, 2016, A1. Location in patent: Paragraph 0195-0196
[4] ACS Medicinal Chemistry Letters, 2010, vol. 1, # 4, p. 145 - 149
[5] Bulletin of the Korean Chemical Society, 2010, vol. 31, # 8, p. 2315 - 2321
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 2,4-dichlorophenylacetate(55954-23-9)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl 2,4-dichlorophenylacetate, 99%(55954-23-9)
[Sigma Aldrich]

55954-23-9(sigmaaldrich)
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