1-Nitrocyclohexene

Base Information

• Chemical Name: 1-Nitrocyclohexene
• CAS No.: 2562-37-0
• Molecular Formula: C6H9 N O2
• Molecular Weight: 127.143
• Hs Code.: 2904209090
• European Community (EC) Number: 219-883-0
• UNII: H6PSH8C6BM
• DSSTox Substance ID: DTXSID40180294
• Nikkaji Number: J192.062F,J3.558.640G
• Wikidata: Q27144116
• Metabolomics Workbench ID: 66642
• Mol file: 2562-37-0.mol

Synonyms:1-Nitrocyclohexene;1-Nitro-1-cyclohexene;2562-37-0;1-Nitrocyclohex-1-ene;Cyclohexene, 1-nitro-;1-nitro-cyclohexene;H6PSH8C6BM;EINECS 219-883-0;(E)-1-Nitrocyclohexene;UNII-H6PSH8C6BM;SCHEMBL458470;1-Nitro-1-cyclohexene, 99%;CHEBI:73802;DTXSID40180294;BCP29176;AKOS015912668;AS-57236;CS-0204678;EN300-93754;J3.558.640G;F77997;Nitrocyclohexene, 1-;(1-Nitrocyclohex-1-ene);J-016070;Q27144116;NYH

Chemical Property of 1-Nitrocyclohexene

Chemical Property:

• Vapor Pressure: 0.0851mmHg at 25°C
• Refractive Index: n20/D 1.505(lit.)
• Boiling Point: 66-68 °C/1.5 mmHg(lit.)
• Flash Point: 79 °C
• PSA: 45.82000
• Density: 1.127 g/mL at 25 °C(lit.)
• LogP: 2.24420
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 127.063328530
• Heavy Atom Count: 9
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

1-Nitro-1-cyclohexene 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(=CC1)[N+](=O)[O-]
• General Description: 1-Nitro-1-cyclohexene (also known as 1-nitrocyclohex-1-ene or 1-nitrocyclohexene) is a cyclic nitroolefin that participates in cyclopentaannulation reactions with diacetyl morpholino enamine, forming [4 + 2] heterocyclization intermediates. Under aqueous acidic conditions, it can yield unusual double addition products, such as hexahydro-pentalene derivatives, highlighting its reactivity in annulation processes and its role in generating complex polycyclic structures. 1-NITRO-1-CYCLOHEXENE's behavior in these reactions provides insights into stereochemistry and mechanistic pathways.

Technology Process of 1-Nitrocyclohexene

There total 44 articles about 1-Nitrocyclohexene 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: 99.0%

cyclohexene (110-83-8) → 1-nitrocyclohexene (2562-37-0)

Guidance literature:

With ammonium cerium(IV) nitrate; acetic acid; sodium nitrite; In chloroform; at 25 - 73 ℃; for 4h; Irradiation;

DOI:10.1039/c39940001425

Reference yield: 93.0%

((1S,2R)-2-Nitro-cyclohexylselanyl)-benzene (83548-12-3) → 1-nitrocyclohexene (2562-37-0)

Guidance literature:

With dihydrogen peroxide; In dichloromethane; Ambient temperature;

DOI:10.1246/cl.1982.1109

Reference yield: 82.0%

1-nitrocyclohexa-1,3-diene (76356-92-8) → 1-nitrocyclohexene (2562-37-0)

Guidance literature:

With <(Bu^t2PH)PdPBu^t2>2 pretreated with O2; hydrogen; In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.1016/00404-0399(50)11207-

upstream raw materials:

1,2-dinitrocyclohexane

trans-1,2-dinitrocyclohexane

bis-(2-nitro-cyclohexyl)-diazene-N,N'-dioxide

cyclohexene

Downstream raw materials:

2-methyl-1-nitrocyclohex-1-ene

cyclohex-1-enecarbonitrile

1-(2-nitro-cyclohexyl)-semicarbazide

3-Nitrocyclohexen-2-on-oxim

Refernces

CYCLOPENTAANNULATION REACTIONS BETWEEN NITROCYCLOALKENES AND DIACETYL MORPHOLINO ENAMINE

10.1016/S0040-4020(01)86222-0

The study investigates cyclopentaannulation reactions between nitrocycloalkenes and diacetyl morpholino enamine. The key chemicals involved are 3-(4-morpholinyl)-3-buten-2-one, acting as an enamine substrate, and cyclic nitroolefins such as 1-nitrocyclopentene and 1-nitro-cyclohexene. The researchers found that reacting the enamine with 1-nitro-cyclohexene produced a [4 + 2] heterocyclization intermediate, while an unusual double addition product was obtained from the hexahydro-pentalene derivative in aqueous acidic medium. The study explores the formation, stability, and transformations of various products, including enamine derivatives and their corresponding ketones, providing insights into the stereochemistry and reaction mechanisms involved in these cyclopentaannulation processes.

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 2562-37-0 1-NITRO-1-CYCLOHEXENE

Send

Send

Metric Ton KG G Pound L ML

Send

Send