| Identification | More | [Name]
N-ISOPROPYL-2-CHLOROACETAMIDE | [CAS]
2895-21-8 | [Synonyms]
2-CHLORO-N-ISOPROPYLACETAMIDE
AKOS USSH-4110464
BUTTPARK 80\07-100
N1-ISOPROPYL-2-CHLOROACETAMIDE
N-ISOPROPYL-2-CHLOROACETAMIDE
N-ISOPROPYL CHLOROACETAMIDE
OTAVA-BB BB7020410060
N-(Chloroacetyl)isopropylamine
2-chloro-N-(1-methylethyl)acetamide
N-Isopropylchloroacetamide,97% | [EINECS(EC#)]
220-775-0 | [Molecular Formula]
C5H10ClNO | [MDL Number]
MFCD00068034 | [Molecular Weight]
135.59 | [MOL File]
2895-21-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
58-60°C | [Boiling point ]
250.6±23.0 °C(Predicted) | [density ]
1.052±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [solubility ]
Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate, Methanol | [form ]
Solid | [pka]
14.08±0.46(Predicted) | [color ]
Dark Brown | [BRN ]
1745034 | [InChI]
InChI=1S/C5H10ClNO/c1-4(2)7-5(8)3-6/h4H,3H2,1-2H3,(H,7,8) | [InChIKey]
GYPNJSBBOATUPK-UHFFFAOYSA-N | [SMILES]
C(NC(C)C)(=O)CCl | [CAS DataBase Reference]
2895-21-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [HazardClass ]
IRRITANT | [HS Code ]
2924190090 |
| Hazard Information | Back Directory | [Uses]
2-Chloro-N-isopropylacetamide is an intermediate in synthesizing Prothoate (P838810), which can be used as analyte in analytical study of a new method of detecting multi-residue of organophosphorus pesticide. | [Synthesis]
The general procedure for the synthesis of N-isopropylchloroacetamide from isopropylamine and chloroacetyl chloride was as follows: isopropylamine (236.4 mg, 4.0 mmol) was dissolved in 4 mL of dichloromethane, followed by the addition of anhydrous potassium carbonate (663.4 mg, 4.8 mmol). The reaction flask was cooled in an ice bath and chloroacetyl chloride (451.8 mg, 4.0 mmol) was slowly added dropwise through a dropping funnel. After the dropwise addition, the reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, 10 mL of ice water was added to quench the reaction. The aqueous phase was extracted with dichloromethane and the organic phases were combined, washed with saturated brine and dried over anhydrous magnesium sulfate. The solvent was removed by distillation under reduced pressure to give a white solid product without further purification. The yield was 70.3%. | [References]
[1] Journal of Organic Chemistry, 2012, vol. 77, # 9, p. 4261 - 4270
[2] Journal of the American Chemical Society, 2009, vol. 131, p. 1106 - 1114
[3] ChemistryOpen, 2014, vol. 3, # 6, p. 238 - 241
[4] ACS Medicinal Chemistry Letters, 2017, vol. 8, # 6, p. 678 - 681
[5] Patent: CN106146414, 2016, A. Location in patent: Paragraph 0472; 0473; 0474 |
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Energy Chemical
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Shanghai URChem Limited
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