(E,E,E)-N-(2-Methylpropyl)hexadeca-2,6,8-trien-10-ynamide

Base Information

Chemical Name:(E,E,E)-N-(2-Methylpropyl)hexadeca-2,6,8-trien-10-ynamide
CAS No.:86926-57-0
Molecular Formula:C₂₀H₃₁NO
Molecular Weight:301.472
Hs Code.:
DSSTox Substance ID:DTXSID001183053
Nikkaji Number:J2.766.037A
Wikidata:Q27105288

Synonyms:(E,E,E)-N-(2-Methylpropyl)hexadeca-2,6,8-trien-10-ynamide;86926-57-0;C08454;CHEBI:282;(2E,6E,8E)-N-Isobutyl-2,6,8-hexadecatriene-10-yneamide;DTXSID001183053;(2E,6E,8E)-N-(2-methylpropyl)hexadeca-2,6,8-trien-10-ynamide;Q27105288;2,6,8-Hexadecatrien-10-ynamide, N-(2-methylpropyl)-, (E,E,E)-

Suppliers and Price of (E,E,E)-N-(2-Methylpropyl)hexadeca-2,6,8-trien-10-ynamide

Supply Marketing:

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

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Chemical Property of (E,E,E)-N-(2-Methylpropyl)hexadeca-2,6,8-trien-10-ynamide

Chemical Property:

Vapor Pressure:1.26E-09mmHg at 25°C
Melting Point:105 - 106 °C
Boiling Point:486.7°Cat760mmHg
Flash Point:299.9°C
PSA：29.10000
Density:0.915g/cm³
LogP:5.18200
XLogP3:6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:10
Exact Mass:301.240564612
Heavy Atom Count:22
Complexity:429

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCC#CC=CC=CCCC=CC(=O)NCC(C)C
Isomeric SMILES:CCCCCC#C/C=C/C=C/CC/C=C/C(=O)NCC(C)C

Technology Process of (E,E,E)-N-(2-Methylpropyl)hexadeca-2,6,8-trien-10-ynamide

There total 16 articles about (E,E,E)-N-(2-Methylpropyl)hexadeca-2,6,8-trien-10-ynamide 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:

: (E/Z)-1-bromo-3-nonyn-1-ene

: 86926-57-0
(2E,6E,8E)-N-(2-methylpropyl)-2,6,8-hexadecatrien-10-ynamide

Guidance literature:: Multi-step reaction with 4 steps

1: 25 percent / NaOCH₃ / Pd(PPh₃)4 / benzene; methanol / 2 h / 70 °C

2: 1.) p-toluenesulphonyl chloride; 2.) LiBr / 1.) pyridine; 2.) acetone, RT

With sodium methylate; p-toluenesulfonyl chloride; lithium bromide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In methanol; benzene;

Reference yield:

: 35042-52-5
(E)-2-penten-4-yn-1-ol

: 86926-57-0
(2E,6E,8E)-N-(2-methylpropyl)-2,6,8-hexadecatrien-10-ynamide

Guidance literature:: Multi-step reaction with 8 steps

1: 68 percent / LiNH₂, liquid NH₃ / tetrahydrofuran / 4 h / -33 °C

2: 90 percent / Et₃N / CH₂Cl₂ / 4 h / 0 °C

3: 85 percent / LiBr / tetrahydrofuran / 12 h / Ambient temperature

4: 63 percent / benzene / 18 h / Ambient temperature

5: 1.) n-Buli / 1.) THF, hexane, -78 deg C -> 0 deg C, 1 h, 2.) -78 deg C -> room temperature; room temperature, 30 min

6: 48 percent / I₂ / benzene / 2 h / Ambient temperature

7: 80 percent / aq. LiOH / dimethylformamide / 6 h / Ambient temperature

8: 1.) carbonyl diimidazole / 1.) 1.) THF, room temperature, 4 h, 2.) overnight

With lithium hydroxide; n-butyllithium; lithium amide; ammonia; iodine; triethylamine; 1,1'-carbonyldiimidazole; lithium bromide; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; benzene;

Reference yield:

: 110-53-2
1-Bromopentane

: 86926-57-0
(2E,6E,8E)-N-(2-methylpropyl)-2,6,8-hexadecatrien-10-ynamide

Guidance literature:: Multi-step reaction with 8 steps

1: 68 percent / LiNH₂, liquid NH₃ / tetrahydrofuran / 4 h / -33 °C

2: 90 percent / Et₃N / CH₂Cl₂ / 4 h / 0 °C

3: 85 percent / LiBr / tetrahydrofuran / 12 h / Ambient temperature

4: 63 percent / benzene / 18 h / Ambient temperature

5: 1.) n-Buli / 1.) THF, hexane, -78 deg C -> 0 deg C, 1 h, 2.) -78 deg C -> room temperature; room temperature, 30 min

6: 48 percent / I₂ / benzene / 2 h / Ambient temperature

7: 80 percent / aq. LiOH / dimethylformamide / 6 h / Ambient temperature

8: 1.) carbonyl diimidazole / 1.) 1.) THF, room temperature, 4 h, 2.) overnight

With lithium hydroxide; n-butyllithium; lithium amide; ammonia; iodine; triethylamine; 1,1'-carbonyldiimidazole; lithium bromide; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; benzene;