4,7-Methano-1H-indene, 2,3,3a,4,7,7a-hexahydro-, (3aR,4S,7R,7aS)-rel-

Base Information

• Chemical Name: 4,7-Methano-1H-indene, 2,3,3a,4,7,7a-hexahydro-, (3aR,4S,7R,7aS)-rel-
• CAS No.: 2826-19-9
• Molecular Formula: C10H14
• Molecular Weight: 134.221
• DSSTox Substance ID: DTXSID60883896
• Nikkaji Number: J421.639C
• Wikidata: Q82862685
• Mol file: 2826-19-9.mol

Synonyms:4,7-Methano-1H-indene, 2,3,3a,4,7,7a-hexahydro-, (3aR,4S,7R,7aS)-rel-;2826-19-9;DTXSID60883896;4,7-Methano-1H-indene, 1,2,3a,4,7,7a-hexahydro-, (3aR,4S,7R,7aS)-rel-;4,7-Methano-1H-indene, 2,3,3a,4,7,7a-hexahydro-, (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-

Chemical Property of 4,7-Methano-1H-indene, 2,3,3a,4,7,7a-hexahydro-, (3aR,4S,7R,7aS)-rel-

Chemical Property:

• Vapor Pressure: 0.947mmHg at 25°C
• Boiling Point: 185.6°Cat760mmHg
• Flash Point: 53.5°C
• PSA: 0.00000
• Density: 1.011g/cm³
• LogP: 2.60860
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 134.109550447
• Heavy Atom Count: 10
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2C(C1)C3CC2C=C3
• Isomeric SMILES: C1C[C@@H]2[C@H](C1)[C@H]3C[C@@H]2C=C3

Technology Process of 4,7-Methano-1H-indene, 2,3,3a,4,7,7a-hexahydro-, (3aR,4S,7R,7aS)-rel-

There total 1 articles about 4,7-Methano-1H-indene, 2,3,3a,4,7,7a-hexahydro-, (3aR,4S,7R,7aS)-rel- 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:

→ endo-5,6-Trimethylen-Δ2-norbornen (2826-19-9,10466-50-9,19398-83-5)

Guidance literature:

Dicyclopentadien, Cyclopenten, 200grad-230grad, Druck 20kg/cm²*g;

Reference yield:

sulfuric acid (7664-93-9) + (3aR*,4S*,7R*,7aS*)-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene (2826-19-9) → (3aR*,4S*,5R*,7S*,7aR*)-2,3,3a,4,5,6,7,7a-octahydro-5-hydroxy-4,7-methano-1H-indene (10271-45-1,15904-95-7) + Octahydro-endo-4,7-methanoinden-endo-5-ol (10271-42-8,10271-43-9,10271-44-0,10271-45-1,13380-89-7,131408-34-9,15904-95-7)

Guidance literature:

DOI:10.1021/ja00879a023 DOI:10.1177/0739986302024003001

Reference yield:

(3aR*,4S*,7R*,7aS*)-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene (2826-19-9) → Octahydro-endo-4,7-methanoinden-endo-5-ol (10271-42-8,10271-43-9,10271-44-0,10271-45-1,13380-89-7,131408-34-9,15904-95-7)

Guidance literature:

With sulfuric acid;

DOI:10.1177/0739986302024003001

Downstream raw materials:

Octahydro-endo-4,7-methanoinden-endo-5-ol

(+/-)-5t-formyloxy-(3arH,7acH)-hexahydro-4t,7t-methano-indan

(3aR^*,4S^*,5R^*,7S^*,7aR^*)-2,3,3a,4,5,6,7,7a-octahydro-5-hydroxy-4,7-methano-1H-indene

(3aR^*,4S^*,7S^*,7aR^*)-2,3,3a,4,5,6,7,7a-octahydro-4,7-methano-1H-inden-5-one

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