3-Buten-1-amine

Base Information

• Chemical Name: 3-Buten-1-amine
• CAS No.: 2524-49-4
• Molecular Formula: C4H9 N
• Molecular Weight: 71.1222
• Hs Code.: 2921199090
• European Community (EC) Number: 680-738-3
• DSSTox Substance ID: DTXSID50332126
• Nikkaji Number: J674.246G
• Wikidata: Q27114138
• Metabolomics Workbench ID: 69852
• Mol file: 2524-49-4.mol

Synonyms:3-Buten-1-amine;2524-49-4;But-3-en-1-amine;homoallylamine;3-butene-1-amine;3-BUTENYLAMINE;4-AMINO-1-BUTENE;C12244;ACMC-1B0ZE;AC1L9F3E;n-but-3-enylamine;But-3-ene-1-amine;BUT-3-ENYLAMINE;CHEBI:31108;DTXSID50332126;ASVKKRLMJCWVQF-UHFFFAOYSA-N;MFCD03425859;AKOS000276646;AB14698;AT25938;SB11689;783295-28-3;CS-0227046;EN300-96305;A817731;A833963;J-015887;Q27114138

Chemical Property of 3-Buten-1-amine

Chemical Property:

• Vapor Pressure: 78.5mmHg at 25°C
• Refractive Index: 1.4240
• Boiling Point: 82.5°Cat760mmHg
• PKA: 9.96±0.10(Predicted)
• Flash Point: °C
• PSA: 26.02000
• Density: 0.761g/cm³
• LogP: 1.22150
• Sensitive.: Air Sensitive
• Water Solubility.: Miscible with water.
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 71.073499291
• Heavy Atom Count: 5
• Complexity: 24.8

Purity/Quality:

97% ^*data from raw suppliers

3-Buten-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R11:Highly flammable.; R34:Causes burns.
• Hazard Codes: R11:Highly flammable.; R34:Causes burns.
• Statements: 11-34
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCN
• General Description: 3-BUTEN-1-AMINE (also known as homoallylamine) is an important precursor in organic synthesis, particularly for the formation of heterocyclic compounds. The study highlights its synthesis via hydrogenative cleavage of nitrogen-oxygen bonds in cycloadducts derived from allylsilanes, offering a novel route to access 3-BUTEN-1-AMINE. Its utility lies in its role as a versatile intermediate for further chemical transformations.

Technology Process of 3-Buten-1-amine

There total 2 articles about 3-Buten-1-amine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

N-(3-butenyl)phthalimide (52898-32-5) → 2,3-dihydrophthalazine-1,4-dione (1445-69-8) + 3-butene-1-amine (2524-49-4)

Guidance literature:

With hydrazine hydrate; In ethanol; at 80 ℃; for 4h;

DOI:10.1002/chem.201805318

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + sulfuric acid (7664-93-9) + 1-Allyl-1-phenyl-3-butenylamine (19243-52-8) → 3-butene-1-amine (2524-49-4) + 1-phenylbut-3-en-1-one (6249-80-5)

Guidance literature:

DOI:10.1021/ja01160a025

Reference yield: 99.0%

3-butene-1-amine (2524-49-4) + 4-methoxy-benzaldehyde (123-11-5) → N-(4-methoxybenzyl)-3-buten-1-ylamine (664342-18-1)

Guidance literature:

3-butene-1-amine; 4-methoxy-benzaldehyde; With magnesium sulfate; triethylamine; In dichloromethane; at 20 ℃;

With methanol; sodium tetrahydroborate; at 0 ℃; for 2h;

upstream raw materials:

formaldehyd

sulfuric acid

1-Allyl-1-phenyl-3-butenylamine

N-(3-butenyl)phthalimide

Downstream raw materials:

N-but-3-enyl-N'-phenyl-urea

4-isothiocyanato-1-butene

(1-buten-4-ylamino)phenylchloroborane

1,3,5-Tri-but-3-enyl-2,4,6-triphenyl-[1,3,5,2,4,6]triazatriborinane

Refernces

REGIOSELECTIVE CYCLOADDITION REACTIONS OF ALLYLSILANES AND SILYL ENOL ETHERS WITH NITRONES AND NITRILE OXIDES. SYNTHESIS OF HOMOALLYLAMINES

10.1246/cl.1985.1049

The research focuses on the regioselective cycloaddition reactions of allylsilanes and silyl enol ethers with nitrones and nitrile oxides, aiming to synthesize homoallylamines. The study demonstrates that these nucleophilic reagents react regioselectively with 1,3-dipolar reagents to form isoxazolidines and isoxazolines, rather than undergoing 1,3-conjugate addition reactions. The process involves the use of allyltrimethylsilane, silyl enol ether, nitrones, and nitrile oxides. The cycloadducts derived from allylsilanes can be further converted to homoallylamines through hydrogenative cleavage of the nitrogen-oxygen bond, providing a new route for synthesizing these compounds, which are important precursors to heterocyclic compounds in organic synthesis. In contrast, cyanosilane reacts with nitrones in a 1,3-conjugate addition manner, yielding silyl ether of N-cyanomethylhydroxylamine. The research concludes that these reactions have significant implications for the synthesis of heterocyclic compounds and warrants further investigation for their applications in organic synthesis.

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