Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 3-acetyl-, [1R-(endo,endo)]-(9CI)

Base Information

Chemical Name:Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 3-acetyl-, [1R-(endo,endo)]-(9CI)
CAS No.:220191-57-1
Molecular Formula:C₁₀H₁₂O₂
Molecular Weight:164.204
Hs Code.:
DSSTox Substance ID:DTXSID701152196
Nikkaji Number:J860.726E
Mol file:220191-57-1.mol

Synonyms:196618-85-6;Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 3-acetyl-, [1R-(endo,endo)]- (9CI);(1R,2S,3R,4S)-3-acetylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde;PIGVZYHJMXOEQI-QCLAVDOMSA-N;DTXSID701152196;220191-57-1;(1beta,4beta)-3alpha-Acetylbicyclo[2.2.1]hept-5-ene-2alpha-carbaldehyde;Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde,3-acetyl-,[1r-(endo,endo)]-(9ci);rel-(-)-(1R,2S,3R,4S)-3-Acetylbicyclo[2.2.1]hept-5-ene-2-carboxaldehyde

Suppliers and Price of Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 3-acetyl-, [1R-(endo,endo)]-(9CI)

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 3-acetyl-, [1R-(endo,endo)]-(9CI)

Chemical Property:

XLogP3:0.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:164.083729621
Heavy Atom Count:12
Complexity:255

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 3-acetyl-, [1R-(endo,endo)]-(9CI)

There total 8 articles about Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 3-acetyl-, [1R-(endo,endo)]-(9CI) 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: 82.0%

: 34218-22-9
1-oxo-2(Z)-penten-4-one

: 542-92-7,25568-84-7,7313-32-8
cyclopenta-1,3-diene

: 85806-33-3,129568-34-9,129568-35-0,220191-57-1,220191-58-2,587875-56-7
(1R,2S,3R,4S)-3-Acetyl-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde

Guidance literature:: In dichloromethane; at 25 ℃; for 2h;
DOI:10.1021/jo952284p

Reference yield:

: 534-22-5
2-methylfuran

: 85806-33-3,129568-34-9,129568-35-0,220191-57-1,220191-58-2,587875-56-7
(1R,2S,3R,4S)-3-Acetyl-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / m-CPBA / CH₂Cl₂ / 0.5 h / 0 °C

2: 82 percent / CH₂Cl₂ / 2 h / 25 °C

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane;
DOI:10.1021/jo952284p

Reference yield:

: 534-22-5
2-methylfuran

: 85806-33-3,129568-34-9,129568-35-0,220191-57-1,220191-58-2,587875-56-7
(1R,2S,3R,4S)-3-Acetyl-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: m-CPBA / CH₂Cl₂ / 0 °C

2: 20 °C

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; 1: Ring cleavage / 2: Cycloaddition;
DOI:10.1016/S0040-4020(99)00997-7