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CCC(CC)NOChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | N-pentan-3-ylhydroxylamine |
|---|---|
| IUPAC Name | — |
| CAS Number | 177025-47-7 |
| Database ID | 19073513 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
N-pentan-3-ylhydroxylamine (CAS 177025-47-7) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
Potential Applications
For professional research and industrial use only
Database ID 19073513
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
12 reactions · 12 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-09792dd7801a43579d424de0eae8c0e0Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-328622b98eb949d3bccd60a49d316a7fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Using the general method of Compound 76, 4'-octyloxy-4-biphenylcarboxylic acid (3.26 g, 10 mmole) was converted to the isocyanate then reacted with N-(1-ethylpropyl)hydroxylamine (1.4 g, 13.5 mmole) to provide 2.0 g of the desired product as a light tan crystalline solid, m.p. 151°-152.5° C. Analysis: Calculated for C26H38N2O3 : %C, 73.20; %H, 8.98; %N, 6.57; Found: %C, 73.19; %H, 9.01; %N, 6.50.
Source ID: ord-6f74207179e3470a937f593252e887f3Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Using the general method of Compound 76, 4-biphenylcarboxylic acid (1.3 g, 6.5 mmole) was converted to the isocyanate then reacted with N-(1-ethylpropyl)hydroxylamine (1.0 g, 10 mmole) to provide 0.54 g of the desired product as a white crystalline solid, m.p. 183°-184° C. Analysis: Calculated for C18H22N2O2 : %C, 72.46; %H, 7.43; %N, 9.39; Found: %C, 72.38; %H, 7.15; %N, 9.26.
Source ID: ord-f131eaad6e7346ebbcfb9058f26ba36bConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Using the general method of Compound 76, 4-biphenylcarboxylic acid (1.3 g, 6.5 mmole) was converted to the isocyanate then reacted with N-(1-ethylpropyl)hydroxylamine (1.0 g, 10 mmole) to provide 0.54 g of the desired product as a white crystalline solid, m.p. 183°-184° C. Analysis: Calculated for C18H22N2O2 : %C, 72.46; %H, 7.43; %N, 9.39; Found: %C, 72.38; %H, 7.15; %N, 9.26.
Source ID: ord-f131eaad6e7346ebbcfb9058f26ba36bConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Using the method of Compound 76, 4-benzoylbenzoic acid (1.47 g, 6.5 mmole) was converted to the corresponding isocyanate then reacted with N-(1-ethylpropyl)hydroxylamine (1.0 g, 10 mmole) to provide 0.58 g of the desired product as white crystals, m.p. 156°-157° C. Analysis: Calculated for C19H22N2O3 : %C, 69.92; %H, 6.79; %N, 8.58; Found: %C, 69.7; %H, 6.61; %N, 8.64.
Source ID: ord-40198c7a956247db8f3b5651c1e6cfb2Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Using the method of Compound 76, 4-benzylbenzoic acid (1.93 g, 9 mmole) was converted to the corresponding isocyanate then reacted with N-(1-ethylpropyl)hydroxylamine (1.4 g, 14 mmole) to provide 1.9 g of the desired product as off-white crystals, m.p. 132.5°-134.1° C. Analysis: Calculated for C19H24N2O2 : %C, 73.05; %H, 7.74; %N, 8.97; Found: %C, 72.82; %H, 7.82; %N, 8.79.
Source ID: ord-f99cb231641742539085020a783840c0Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Using the method of Compound 76, 3-phenoxybenzoic acid (3.47 g, 16 mmole) was converted to the corresponding isocyanate then reacted with N-(1-ethylpropyl)hydroxylamine (2.5 g, 24 mmole) to provide 3.2 g of the desired product as white plates, m.p. 110.6°-111.4° C. Analysis: Calculated for C18H22N2O3 : %C, 68.77; %H, 7.05; %N, 8.91; Found: %C, 68.4; %H, 6.67; %N, 8.89.
Source ID: ord-2529c05829b6401aaee53121fc25383fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 2-phenoxybenzoic acid (2.63 g, 12.3 mmole), triethylamine (1.8 mL, 13 mmole) and diphenylphosphoryl azide (2.9 mL, 13.5 mmole) in toluene (50 mL) was heated at 95° C. for 2 hours. The reaction was cooled to ambient temperature and N-(1-ethylpropyl)hydroxylamine (1.9 g, 18.4 mmole) was added as a solid. The reaction was maintained overnight then concentrated under vacuum to provide the crude product as a yellow oil. The residue was partitioned between diethyl ether (100 mL) and water (100 ml). The fractions were separated and the aqueous fraction was extracted with additional portions of diethyl ether (3×50 mL). The combined organic fractions were dried over sodium sulfate, filtered and concentrated. The residue was recrystallized from hexanes.backslash.ethyl acetate to provide 2.3 g of the desired product as a white crystalline solid, m.p. 141.2°-141.8° C. Analysis: Calculated for C18H22N2O3 : %C, 68.77; %H, 7.05; %N, 8.91; Found: %C, 68.23; %H, 6.8; %N, 8.89. The reaction was maintained overnight then concentrated under vacuum to provide the crude product as a yellow oil The residue was partitioned between diethyl ether (100 mL) and water (100 ml) The fractions were separated the aqueous fraction was extracted with additional portions of diethyl ether (3×50 mL) The combined organic fractions were dried over sodium sulfate filtered concentrated The residue was recrystallized from hexanes
Source ID: ord-e1e2962eb19c4d938b43a9252c970507Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Using the method of Compound 72, 3,5-bis(trifluoromethyl)phenylisocyanate (1.3 g, 5.1 mmole) was reacted with N-(1-ethylpropyl)hydroxylamine (0.58 g, 5.6 mmole) to provide 160 mg of the desired product as a white crystalline solid, m.p. 115°-116° C. Analysis: Calculated for: C14H16F6N2O2 : %C, 46.93; %H, 4.5; %N, 7.82; Found: %C, 46.8; %H, 4.37; %N, 7.89.
Source ID: ord-5e4c4f23c4704ea2a9329f520bf92944Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of N-(1-ethylpropyl)hydroxylamine (1.13 g, 11 mmole, Compound 39, Part B) in tetrahydrofuran (30 mL) was charged with 4-phenoxyphenylisocyanate (2.1 g, 10 mmole) and maintained at ambient temperature overnight. The solvent was removed in vacuo to yield 3.2 g of the crude product as a white solid. Recrystallization from hexanesethyl acetate provided 1.6 g of the desired product as a white crystalline solid, m.p. 124°-125° C. Analysis: Calculated for: C18H22N2O3 : %C, 68.77; %H, 7.05; %N, 8.91; Found: %C, 68.44; %H, 7.09; %N, 8.82. The solvent was removed in vacuo to yield 3.2 g of the crude product as a white solid Recrystallization from hexanesethyl acetate
Source ID: ord-0172f93dfd3b4ccfb0abf7fa379994ccConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of N-(1-ethylpropyl)hydroxylamine (1.13 g, 11 mmole, Compound 39, Part B) in tetrahydrofuran (30 mL) was charged with 4-phenoxyphenylisocyanate (2.1 g, 10 mmole) and maintained at ambient temperature overnight. The solvent was removed in vacuo to yield 3.2 g of the crude product as a white solid. Recrystallization from hexanesethyl acetate provided 1.6 g of the desired product as a white crystalline solid, m.p. 124°-125° C. Analysis: Calculated for: C18H22N2O3 : %C, 68.77; %H, 7.05; %N, 8.91; Found: %C, 68.44; %H, 7.09; %N, 8.82. The solvent was removed in vacuo to yield 3.2 g of the crude product as a white solid Recrystallization from hexanesethyl acetate
Source ID: ord-0172f93dfd3b4ccfb0abf7fa379994ccPubChem References
These sources are listed in the compound's public database record.
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