2-Chloro-N-(1-methylethyl)acetamide
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2-Chloro-N-(1-methylethyl)acetamide
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CAS No:
2895-21-8
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Formula:
C5H10ClNO
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Chemical Name:
2-Chloro-N-(1-methylethyl)acetamide
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Synonyms:
Acetamide,2-chloro-N-(1-methylethyl)-;Acetamide,2-chloro-N-isopropyl-;2-Chloro-N-(1-methylethyl)acetamide;α-Chloro-N-isopropylacetamide;2-Chloro-N-isopropylacetamide;N-Isopropylchloroacetamide;N-Isopropyl-2-chloroacetamide;NSC 165658;N-(Chloroacetyl)isopropylamine;2-Chloro-N-(propan-2-yl)acetamide
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CAS No:
2-Chloro-N-(1-methylethyl)acetamide Basic Attributes
135.59
135.59
220-775-0
165658
DTXSID00183145
2924199090
Safety Information
R36/37/38
S26-S36/37/39
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 161 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Chloro-N-(1-methylethyl)acetamide Use and Manufacturing
Isopropylamine (236.4 mg, 4.0 mmol)Was dissolved in 4 mL of dichloromethane, Anhydrous potassium carbonate (663.4 mg, 4.8 mmol) was added, The reaction flask was placed in an ice bath, Chloroacetyl chloride (451.8 mg, 4.0 mmol) was slowly added via a dropping funnel, The reaction was stirred at room temperature overnight. After completion of the reaction, 10 mL of ice water was added to quench the reaction, Dichloromethane, the combined organic phase was washed with saturated brine, Dried over anhydrous magnesium sulfate and distilled under reduced pressure without further purification to give a white solid. Yield: 70.3percentTo a solution of propan-2-amine (5.9 g, 0.1 mol) in DCM (500 mL) was added 2- chloroacetyl chloride (11.1 g, 0.1 mol) drop wise at 0 °C. The mixture was stirred at room temperature for 2 hrs. Then the mixture was quenched with water. The organic phase was washed with saturated brine, dried with anhydrous Na2 SO4, filtered and concentrated in vacuum to give the product titel compound (6.30 g) as a light yellow oil. ‘H NIVIR (400 MHz, DMSO-d6)ö 6.37 (b, 1H), 4.14-4.02 (m, 1H), 1.20 (d, J = 6.8 Hz, 6H).[0094] To a solution of propan-2-amine (5.9 g, 0.1 mol) in DCM (500 rriL) was added 2- chloroacetyl chloride (11.1 g, 0.1 mol) drop wise at 0 °C. The mixture was stirred at room temperature for 2 hrs. Then the mixture was quenched with water. The organic phase was washed with saturated brine, dried with anhydrous Na
Computed Properties
Molecular Weight:135.59
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:135.0450916
Monoisotopic Mass:135.0450916
Topological Polar Surface Area:29.1
Heavy Atom Count:8
Complexity:82.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2-Chloro-N-(1-methylethyl)acetamide
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