Propanoic acid, 2-methyl-, hydrazide
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Propanoic acid, 2-methyl-, hydrazide
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CAS No:
3619-17-8
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Formula:
C4H10N2O
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Chemical Name:
Propanoic acid, 2-methyl-, hydrazide
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Synonyms:
Propanoic acid,2-methyl-,hydrazide;Isobutyric acid,hydrazide;Isobutyrohydrazide;Isobutyryl hydrazide;Isobutyrylhydrazine;Isobutyric hydrazide;2-Methylpropionic acid hydrazide;Isobutanoic acid hydrazide;NSC 141139;2-Methylpropanoic acid hydrazide;2-Methylpropanehydrazide;2-Methylpropanohydrazide;2250430-93-2
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CAS No:
Propanoic acid, 2-methyl-, hydrazide Basic Attributes
102.14
102.14
141139
DTXSID70189755
2928000090
Safety Information
R20/21/22
S26-S36/37/39
Xi: Irritant;
P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H301
|Danger|H301 (66.67%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Propanoic acid, 2-methyl-, hydrazide Use and Manufacturing
Ethyl isobutyrate (58.0 g, 0.5 mol) reacted with excess50percent hydrazine hydrate (110 mL) under reflux for 7 h. Thesolvent was removed by distillation under vacuum, and thecrude product was purified by recrystallisation using ethanolto yield isobutyrohydrazide (3). Yield: 65.6percent.A mixture of compound 24-3 (20 g, 172.18 mmol) and hydrazine hydrate (20 mL, 514.5mmol, 25.73 mol/L) in ethanol (30 mL) was refluxed for 4 hours. After the reaction wascomplete, the mixture was cooled to rt and concentrated in vacuo to afford a white solid 24-4(10.7 g, 61percent). MS (ESI, pos.ion) m/z: 103[M+1].A7. General Method for the Synthesis of 2-Aminooxadiazoles; Step 1. Isobutyric Hydrazide; A solution of methyl isobutyrate (10.0 g) and hydrazine (2.76 g) in MeOH (500 mL) was heated at the reflux temperature over night then stirred at 60° C. for 2 weeks. The resulting mixture was cooled to room temperature and concentrated under reduced pressure to afford isobutyric hydrazide as a yellow oil (1.0 g, 10percent), which was used in the next step without further purification.A solution of methyl isobutyrate (10.0 g) and hydrazine (2.76 g) in MeOH (500 mL) was heated at the reflux temperature over night then stirred at 60 °C for 2 weeks.
Computed Properties
Molecular Weight:102.14
XLogP3:-0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:102.079312947
Monoisotopic Mass:102.079312947
Topological Polar Surface Area:55.1
Heavy Atom Count:7
Complexity:70.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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