Perillene

Base Information

• Chemical Name: Perillene
• CAS No.: 539-52-6
• Molecular Formula: C10H14 O
• Molecular Weight: 150.221
• Hs Code.: 2932190090
• UNII: AM4D4646ZW
• DSSTox Substance ID: DTXSID40202167
• Nikkaji Number: J99.989J
• Wikipedia: Perillene
• Wikidata: Q15634089
• Metabolomics Workbench ID: 66784
• Mol file: 539-52-6.mol

Synonyms:perillene

Chemical Property of Perillene

Chemical Property:

• Vapor Pressure: 0.953mmHg at 25°C
• Refractive Index: 1.47053 (589.3 nm, 21℃)
• Boiling Point: 185.5°Cat760mmHg
• Flash Point: 55.9°C
• PSA: 13.14000
• Density: 0.913g/cm³
• LogP: 3.17840
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

≥98% ^*data from raw suppliers

Perillene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC1=COC=C1)C

Technology Process of Perillene

There total 7 articles about Perillene 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:

N-(1-deoxy-D-erythro-2-pentulos-1-yl)glycine → 1,3-thiazole (288-47-1) + furfural (98-01-1) + thiophene-2-carbaldehyde (98-03-3) + 4,5-Dihydro-2-methylthiophen-3-(2H)-on (74015-70-6,13679-85-1) + 5-Methylfurfural (620-02-0) + 5-methylthiophene-2-carboxaldehyde (13679-70-4) + 2-Acetylthiazole (24295-03-2,260998-74-1) + 2-butyrylthiophene (5333-83-5) + perillene (539-52-6) + benzofuran, 4,7-dimethyl- (28715-26-6) + 2,5-thiophenedicarboxaldehyde (932-95-6)

Guidance literature:

With L-Cysteine; at 100 ℃; for 2h;

DOI:10.1016/j.foodchem.2021.131137

Reference yield:

N-(1-deoxy-D-erythro-2-pentulos-1-yl)glycine → furfural (98-01-1) + 5-Methylfurfural (620-02-0) + 1-benzofurane (271-89-6) + N-methylpyrrole aldehyde (1192-58-1) + perillene (539-52-6)

Guidance literature:

With glycine; at 100 ℃; for 2h;

DOI:10.1016/j.foodchem.2021.131137

Reference yield:

N-(1-deoxy-D-erythro-2-pentulos-1-yl)glycine → furfural (98-01-1) + furfuryl methyl sulfide (1438-91-1) + N-methylpyrrole aldehyde (1192-58-1) + perillene (539-52-6) + Dimethyldisulphide (624-92-0) + 3,6-dimethyl-2,4,5,7-tetrathiaoctane (69078-77-9)

Guidance literature:

With L-methionine; at 100 ℃; for 2h;

DOI:10.1016/j.foodchem.2021.131137

upstream raw materials:

3,7-Dimethyl-1,3,6-octatrienyl acetate

3-(bromomethyl)furan

prenyl bromide

(3-furylmethyl)magnesium bromide

Downstream raw materials:

(4S,5S)-4,5-Bis-benzyloxymethyl-2-((E)-4-furan-3-yl-1-methyl-but-1-enyl)-[1,3]dioxolane

3-(4-Methyl-3-phenylsulfanyl-pent-4-enyl)-furan

(E)-5-(furan-3-yl)-2-methylpent-2-en-1-ol

perillenal

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