Bicyclo(2.2.1)hept-5-en-2-yl phenyl sulfoxide

Base Information

• Chemical Name: Bicyclo(2.2.1)hept-5-en-2-yl phenyl sulfoxide
• CAS No.: 120409-13-4
• Molecular Formula: C₁₃H₁₄OS
• Molecular Weight: 218.32
• DSSTox Substance ID: DTXSID50923391
• Wikidata: Q82897405
• Mol file: 120409-13-4.mol

Synonyms:BHPS;bicyclo(2.2.1)hept-5-en-2-yl phenyl sulfoxide;bicyclo(2.2.1)hept-5-en-2-yl phenyl sulfoxide, 1alpha,4alpha,5alpha(S*)-isomer;bicyclo(2.2.1)hept-5-en-2-yl phenyl sulfoxide, 1alpha,4alpha,5beta(R*)-isomer

Chemical Property of Bicyclo(2.2.1)hept-5-en-2-yl phenyl sulfoxide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 382.906°C at 760 mmHg
• Flash Point: 185.375°C
• Density: 1.26g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 218.07653624
• Heavy Atom Count: 15
• Complexity: 291

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2CC(C1C=C2)S(=O)C3=CC=CC=C3
• Isomeric SMILES: C1[C@@H]2C[C@H]([C@H]1C=C2)[S@@](=O)C3=CC=CC=C3

Technology Process of Bicyclo(2.2.1)hept-5-en-2-yl phenyl sulfoxide

There total 4 articles about Bicyclo(2.2.1)hept-5-en-2-yl phenyl sulfoxide 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:

Phenyl vinyl sulfoxide (20451-53-0) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) → endo-(2SR,8SR)-bicyclo<2.2.1>hept-5-en-2-yl phenyl sulfoxide (74491-18-2,120409-13-4,120409-14-5,120409-15-6,127987-31-9) + exo-(2RS,8RS)-bicyclo<2.2.1>hept-5-en-2-yl phenyl sulfoxide (74491-18-2,120409-13-4,120409-14-5,120409-15-6,127987-31-9) + exo-(2R*,8S*)-bicyclo<2.2.1>hept-5-en-2-yl phenyl sulfoxide (74491-18-2,120409-13-4,120409-14-5,120409-15-6,127987-31-9)

Guidance literature:

In benzene; at 49.9 ℃; for 168h;

DOI:10.1107/S0108768188009103

Reference yield:

Phenyl vinyl sulfoxide (20451-53-0) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) → endo-(2SR,8SR)-bicyclo<2.2.1>hept-5-en-2-yl phenyl sulfoxide (74491-18-2,120409-13-4,120409-14-5,120409-15-6,127987-31-9) + exo-(2RS,8RS)-bicyclo<2.2.1>hept-5-en-2-yl phenyl sulfoxide (74491-18-2,120409-13-4,120409-14-5,120409-15-6,127987-31-9) + exo-(2R*,8S*)-bicyclo<2.2.1>hept-5-en-2-yl phenyl sulfoxide (74491-18-2,120409-13-4,120409-14-5,120409-15-6,127987-31-9)

Guidance literature:

In benzene; at 49.9 ℃; for 168h;

DOI:10.1107/S0108768188009103

Reference yield:

Phenyl vinyl sulfoxide (20451-53-0) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) → endo-(2SR,8SR)-bicyclo<2.2.1>hept-5-en-2-yl phenyl sulfoxide (74491-18-2,120409-13-4,120409-14-5,120409-15-6,127987-31-9) + exo-(2RS,8RS)-bicyclo<2.2.1>hept-5-en-2-yl phenyl sulfoxide (74491-18-2,120409-13-4,120409-14-5,120409-15-6,127987-31-9) + exo-(2R*,8S*)-bicyclo<2.2.1>hept-5-en-2-yl phenyl sulfoxide (74491-18-2,120409-13-4,120409-14-5,120409-15-6,127987-31-9)

Guidance literature:

In benzene; at 49.9 ℃; for 168h;

DOI:10.1107/S0108768188009103

upstream raw materials:

4-phenylsulphinyl-4-methylpentan-2-one

bicyclo[2.2.1]hepta-2,5-diene

Phenyl vinyl sulfoxide

cyclopenta-1,3-diene

Downstream raw materials:

exo-5-phenylthiobicyclo[2.2.1]hept-2-ene

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