Bicyclo[2.2.1]hept-5-en-2-ylmethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

Base Information

• Chemical Name: Bicyclo[2.2.1]hept-5-en-2-ylmethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
• CAS No.: 1218-65-1
• Molecular Formula: C₁₆H₂₀O₂
• Molecular Weight: 244.334
• European Community (EC) Number: 214-938-5
• DSSTox Substance ID: DTXSID40923961
• Nikkaji Number: J217.067A
• Mol file: 1218-65-1.mol

Synonyms:1218-65-1;EINECS 214-938-5;bicyclo[2.2.1]hept-5-en-2-ylmethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-bicyclo[2.2.1]hept-5-enylmethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;Bicyclo(2.2.1)hept-5-en-2-ylmethyl bicyclo(2.2.1)hept-5-ene-2-carboxylate;SCHEMBL417020;DTXSID40923961;6-bicyclo[2.2.1]hept-2-enylmethyl bicyclo[2.2.1]hept-2-ene-6-carboxylate;(Bicyclo[2.2.1]hept-5-en-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, bicyclo(2.2.1)hept-5-en-2-ylmethyl ester;Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (bicyclo[2.2.1]hept-5-en-2-yl)methyl ester

Chemical Property of Bicyclo[2.2.1]hept-5-en-2-ylmethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.000108mmHg at 25°C
• Boiling Point: 337.1°Cat760mmHg
• Flash Point: 151°C
• PSA: 26.30000
• Density: 1.159g/cm³
• LogP: 2.95400
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 244.146329876
• Heavy Atom Count: 18
• Complexity: 423

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC(C1C=C2)COC(=O)C3CC4CC3C=C4

Technology Process of Bicyclo[2.2.1]hept-5-en-2-ylmethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

There total 3 articles about Bicyclo[2.2.1]hept-5-en-2-ylmethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate 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: 38.0%

cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) + acrolein (107-02-8,25068-14-8) → bicyclo[2.2.1]hept-5-en-2-ylmethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (1218-65-1,46891-42-3) + (+/-)-endo-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde (19926-90-0) + exo-2-formylbicyclo[2.2.1]hept-5-ene (5453-80-5,19926-88-6,19926-90-0,58001-94-8,69831-12-5,69831-13-6,72203-35-1,96443-40-2,96443-41-3)

Guidance literature:

With aluminum trisphenoxide polymer; In toluene; Yields of byproduct given; 1.) -78 deg C, 1 h, 2.) r.t., 28 h;

DOI:10.1055/s-1999-2523

Reference yield: 4.0%

5-Norbornene-2-carboxaldehyde (5453-80-5,19926-90-0) → bicyclo[2.2.1]hept-5-en-2-ylmethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (1218-65-1,46891-42-3) + 5-hydroxymethyl-2-norbornene (95-12-5)

Guidance literature:

With diiron nonacarbonyl; In tetrahydrofuran; for 48h; Heating;

DOI:10.1021/jo00269a047

Reference yield:

→ bicyclo[2.2.1]hept-5-en-2-ylmethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (1218-65-1,46891-42-3)

Guidance literature:

DOI:10.1021/je60021a028

upstream raw materials:

5-Norbornene-2-carboxaldehyde

cyclopenta-1,3-diene

acrolein

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