(6-Nitrocyclohex-3-en-1-yl)benzene

Base Information

• Chemical Name: (6-Nitrocyclohex-3-en-1-yl)benzene
• CAS No.: 24347-65-7
• Molecular Formula: C₁₂H₁₃NO₂
• Molecular Weight: 203.241
• NSC Number: 87326
• DSSTox Substance ID: DTXSID10293123
• Mol file: 24347-65-7.mol

Synonyms:24347-65-7;(6-nitrocyclohex-3-en-1-yl)benzene;NSC87326;NCIOpen2_005366;2-nitrocyclohex-4-enylbenzene;4-nitro-5-phenylcyclohexene-1;SCHEMBL7699224;DTXSID10293123;UXWVJBRZRRCUHU-UHFFFAOYSA-N;NSC-87326

Chemical Property of (6-Nitrocyclohex-3-en-1-yl)benzene

Chemical Property:

• Vapor Pressure: 0.000319mmHg at 25°C
• Boiling Point: 320.4°C at 760 mmHg
• Flash Point: 143.9°C
• Density: 1.14g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 251

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CCC(C1C2=CC=CC=C2)[N+](=O)[O-]

Technology Process of (6-Nitrocyclohex-3-en-1-yl)benzene

There total 3 articles about (6-Nitrocyclohex-3-en-1-yl)benzene 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:

4-nitro-3-phenyl-6-(1-phenyl-1H-tetrazol-5-ylsulfonyl)hexanal → (4R,5S)-4-(2,2-dimethoxyethyl)-5-nitrocyclohex-1-ene (24347-65-7,88611-69-2,104184-07-8,134745-90-7) + 4-(2,2-dimethoxyethyl)-5-nitrocyclohex-1-ene

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 0 ℃; for 0.5h; Overall yield = 52 %;

DOI:10.1021/jo401686u

Reference yield:

nitrostyrene (5153-67-3) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 4-nitro-5-phenyl-Δ'-cyclohexene (24347-65-7,88611-69-2,104184-07-8,134745-90-7)

Guidance literature:

With hydroquinone; toluene; at 100 ℃;

DOI:10.1021/jo01138a011

Reference yield:

3-Sulfolene (77-79-2) + nitrostyrene (5153-67-3) → 4-nitro-5-phenyl-Δ'-cyclohexene (24347-65-7,88611-69-2,104184-07-8,134745-90-7)

Guidance literature:

DOI:10.1016/S0960-894X(01)00246-3

upstream raw materials:

nitrostyrene

buta-1,3-diene

3-Sulfolene

Downstream raw materials:

(+/-)-trans-1-nitro-2-phenyl-cyclohexane

((1S,6R)-6-Phenyl-cyclohex-3-enyl)-carbamic acid tert-butyl ester

4-Methyl-N-((1S,6R)-6-phenyl-cyclohex-3-enyl)-benzenesulfonamide

(1R,5S,8S)-4-Methylene-8-phenyl-2-(toluene-4-sulfonyl)-2-aza-bicyclo[3.3.1]non-6-ene

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