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Isopropylacetamide

Isopropylacetamide structure

CAS No:
1118-69-0
Formula:
C5H11NO
Chemical Name:
Isopropylacetamide
Synonyms:
Acetamide,N-(1-methylethyl)-;Acetamide,N-isopropyl-;N-(1-Methylethyl)acetamide;Isopropylacetamide;N-Isopropylacetamide;2-Acetamidopropane;NSC 44147
Categories:
Pharmaceutical Intermediates > Antineoplastics

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Isopropylacetamide Basic Attributes

Molecular Weight：

101.149

Exact Mass：

101.15

NSC Number：

44147

DSSTox ID：

DTXSID30149739

HScode：

2924199090

Characteristics

PSA：

29.1

XLogP3：

0.3

Density：

0.912 g/cm³ @ Temp: 25 °C

Boiling Point：

219.5-224 °C

Flash Point：

100.5ºC

Refractive Index：

1.405

Isopropylacetamide Use and Manufacturing

General procedure: To a mixture of amine (1 mmol), acetyl chloride (1 mmol)in acetonitrile (5 mL) were added hydroxyapatite 'Cu2O(0.1 g) under air atmosphere. The reaction mixture wasrefluxed at 50 °C for an appropriate time. The progress ofthe reaction was monitored through TLC. Upon completionof the reaction, the reaction mixture was cooled toroom temperature and filtered. The residue was washedwith water followed by EtOAc (3 × 10 mL). The productwas obtained after the removal of solvent under reducedpressure followed by crystallization from pet ether orEtOAc:pet ether or passing through column of silica andelution with EtOAc:pet ether.c. N-Isopropyl-acetamideAdd potassium carbonate (28 kg) to a solution of 2-propanamine (12 kg) in ethyl acetate (108 kg) at <20° C. Cool the mixture to 5-0° C. and add acetyl chloride (16.7 kg) at about 2-3 kg/h. Stir until complete by gas chromatography. Quench the reaction with water (0.8 kg) and filter the reaction mixture and concentrate to afford 13.4 kg of the title compound. NMR (CDCl3) 4.06 (m, 1H), 1.94 (s, 3H), 1.14 (d, 6H).Add potassium carbonate (28 kg) to a solution of 2-propanamine (12 kg) in ethyl acetate (108 kg) at <20 °C. Cool the mixture to 5-0 °C and add acetyl chloride (16.7 kg) at about 2-3 kg/hour. Stir until complete by gas chromatography. Quench the reaction with water (0.8 kg) and filter the reaction mixture and concentrate to afford 13.4 kg of the title compound. NMR (CDC13) 4.06 (m, 1H), 1.94 (s, 3H), 1.14 (d, 6H).

Computed Properties

Molecular Weight:101.15
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:101.084063974
Monoisotopic Mass:101.084063974
Topological Polar Surface Area:29.1
Heavy Atom Count:7
Complexity:68.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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N-isopropylacetamide1118-69-0

CAS No.: 1118-69-0

Grade: Pharmaceutical Grade

Content: 99%

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CAS No.: 1118-69-0

Grade: Chemical Grade

Content: 95%

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