gamma-Sanshool

Base Information

• Chemical Name: gamma-Sanshool
• CAS No.: 78886-65-4
• Molecular Formula: C18H27NO
• Molecular Weight: 273.418
• DSSTox Substance ID: DTXSID201318436
• Nikkaji Number: J674.644F
• Wikidata: Q27134695
• Metabolomics Workbench ID: 64454

Synonyms:alpha-sanshool;beta-sanshool;gamma-sanshool;sanshool

Chemical Property of gamma-Sanshool

Chemical Property:

• Vapor Pressure: 1.19E-08mmHg at 25°C
• Boiling Point: 460.2°Cat760mmHg
• Flash Point: 282.6°C
• Density: 0.911g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 273.209264485
• Heavy Atom Count: 20
• Complexity: 384

Purity/Quality:

Analysis standard,HPLC≥98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC=CC=CCCC=CC=CC(=O)NCC(C)C
• Isomeric SMILES: C/C=C/C=C/C=C\CC/C=C/C=C/C(=O)NCC(C)C

Technology Process of gamma-Sanshool

There total 19 articles about gamma-Sanshool 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: 95.0%

(2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoic acid + isobutylamine (78-81-9) → (2E,4E,8Z,10E,12E)-N-isobutyl tetradeca-2,4,8,10,12-pentaenamide (78886-65-4)

Guidance literature:

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine; In chloroform; acetonitrile; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1055/s-0034-1379215

Reference yield: 78.0%

C21H27FeNO4 → (2E,4E,8Z,10E,12E)-N-isobutyl tetradeca-2,4,8,10,12-pentaenamide (78886-65-4)

Guidance literature:

C₂₁H₂₇FeNO₄; With diisobutylaluminium hydride; In toluene; at -20 ℃;

With diethylphosphonoacetic acid; N,N,N,N,-tetramethylethylenediamine; zinc trifluoromethanesulfonate; In tetrahydrofuran; toluene; at 20 ℃;

DOI:10.1016/j.tetlet.2012.08.135

Reference yield:

tricarbonyl[(10,11,12,13-η)-(2E,4E,8Z,10E,12E)-N-isobutyltetradeca-2,4,8,10,12-pentaenamide]iron → (2E,4E,8Z,10E,12E)-N-isobutyl tetradeca-2,4,8,10,12-pentaenamide (78886-65-4)

Guidance literature:

With trimethylamine-N-oxide; In acetonitrile; at 20 ℃; for 1h; Inert atmosphere;

upstream raw materials:

trans,trans-2,4-Hexadienal

(2E,4E)-8-(Triphenyl-λ⁵-phosphanylidene)-octa-2,4-dienoic acid isobutyl-amide

isobutylamine

methyl 6-bromohexanoate

Downstream raw materials:

n-tetradecanoic acid

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