dodeca-2E,4E,8Z,10Z-tetraenoic acid isobutylamide

Base Information

Chemical Name:dodeca-2E,4E,8Z,10Z-tetraenoic acid isobutylamide
CAS No.:77448-63-6
Molecular Formula:C₁₆H₂₅NO
Molecular Weight:247.381
Hs Code.:2924199090
UNII:89G464XVIL
ChEMBL ID:CHEMBL463546
Metabolomics Workbench ID:136344
Wikidata:Q27270041
Mol file:77448-63-6.mol

Synonyms:2,4,8,10-dodecatetraenoic acid isobutylamide;C12en4CONHiB;dodeca-2,4,8,10-tetraenoic acid isobutylamide;N-isobutyl-2,4,8,10-dodecatetraenamide

Suppliers and Price of dodeca-2E,4E,8Z,10Z-tetraenoic acid isobutylamide

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

American Custom Chemicals Corporation
DODECA-2,4,8,10-TETRAENOIC ACID ISOBUTYLAMIDE 95.00%
5MG
$ 501.74

Total 5 raw suppliers

Chemical Property of dodeca-2E,4E,8Z,10Z-tetraenoic acid isobutylamide

Chemical Property:

Melting Point:74-76 °C
Boiling Point:423.5±38.0 °C(Predicted)
PKA:14.67±0.46(Predicted)
PSA：32.59000
Density:0.904±0.06 g/cm3(Predicted)
LogP:4.62380
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:8
Exact Mass:247.193614421
Heavy Atom Count:18
Complexity:322

Purity/Quality:

99% ^*data from raw suppliers

DODECA-2,4,8,10-TETRAENOIC ACID ISOBUTYLAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=CC=CCCC=CC=CC(=O)NCC(C)C
Isomeric SMILES:C/C=C\C=C/CC/C=C/C=C/C(=O)NCC(C)C
Uses Dodeca-2E,4E,8Z,10Z-tetraenoic Acid Isobutylamide is the major Echinacea purpurea constituent in the human blood plasma.

Technology Process of dodeca-2E,4E,8Z,10Z-tetraenoic acid isobutylamide

There total 10 articles about dodeca-2E,4E,8Z,10Z-tetraenoic acid isobutylamide 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:

: C₁₀H₁₄O

: 18498-20-9
2-N-iso-butyl-2-oxoethyl phosphonium chloride

: 1308271-53-5
(2Z,4E,8Z,10Z)-N-isobutyldodeca-2,4,8,10-tetraenamide

: 77448-63-6
(2E,4E,8Z,10Z)-N-isobutyl-2,4,8,10-dodecatetraenamide

Guidance literature:: 2-N-iso-butyl-2-oxoethyl phosphonium chloride; With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 0.5h;

C₁₀H₁₄O; In tetrahydrofuran; at 0 ℃; for 2h;
DOI:10.1021/jo200289f

Reference yield:

: 62992-46-5
1-(tetrahydropyranyloxy)-4-pentyn

: 1308271-53-5
(2Z,4E,8Z,10Z)-N-isobutyldodeca-2,4,8,10-tetraenamide

: 77448-63-6
(2E,4E,8Z,10Z)-N-isobutyl-2,4,8,10-dodecatetraenamide

Guidance literature:: Multi-step reaction with 9 steps

1.1: ethylmagnesium bromide / tetrahydrofuran / 50 °C

1.2: 20 - 50 °C

2.1: potassium tert-butylate; dimethyl sulfoxide / tetrahydrofuran / -40 °C

3.1: toluene-4-sulfonic acid / methanol / 2 h / 20 °C

4.1: oxalyl dichloride; dimethyl sulfoxide / dichloromethane / -78 - -10 °C

4.2: -78 - 20 °C

5.1: sodium hydride / diethyl ether; mineral oil / 0 °C

5.2: 0 °C

6.1: diisobutylaluminium hydride / diethyl ether / 0 °C

7.1: naphthalene; lithium; zinc(II) chloride / tetrahydrofuran; methanol / 50 °C

8.1: oxalyl dichloride; dimethyl sulfoxide / dichloromethane / -78 - -10 °C

8.2: -78 - 20 °C

9.1: potassium tert-butylate / tetrahydrofuran / 0.5 h / 20 °C

9.2: 2 h / 0 °C

With oxalyl dichloride; naphthalene; ethylmagnesium bromide; potassium tert-butylate; lithium; sodium hydride; diisobutylaluminium hydride; toluene-4-sulfonic acid; dimethyl sulfoxide; zinc(II) chloride; In tetrahydrofuran; methanol; diethyl ether; dichloromethane; mineral oil; 4.1: Swern oxidation / 4.2: Swern oxidation / 5.1: Horner-Wadsworth-Emmons olefination / 5.2: Horner-Wadsworth-Emmons olefination / 8.1: Swern oxidation / 8.2: Swern oxidation / 9.1: Wittig reaction / 9.2: Wittig reaction;
DOI:10.1021/jo200289f

Reference yield:

: 1308271-44-4
C₁₃H₁₈O₂

: 1308271-53-5
(2Z,4E,8Z,10Z)-N-isobutyldodeca-2,4,8,10-tetraenamide

: 77448-63-6
(2E,4E,8Z,10Z)-N-isobutyl-2,4,8,10-dodecatetraenamide

Guidance literature:: Multi-step reaction with 8 steps

1.1: potassium tert-butylate; dimethyl sulfoxide / tetrahydrofuran / -40 °C

2.1: toluene-4-sulfonic acid / methanol / 2 h / 20 °C

3.1: oxalyl dichloride; dimethyl sulfoxide / dichloromethane / -78 - -10 °C

3.2: -78 - 20 °C

4.1: sodium hydride / diethyl ether; mineral oil / 0 °C

4.2: 0 °C

5.1: diisobutylaluminium hydride / diethyl ether / 0 °C

6.1: naphthalene; lithium; zinc(II) chloride / tetrahydrofuran; methanol / 50 °C

7.1: oxalyl dichloride; dimethyl sulfoxide / dichloromethane / -78 - -10 °C

7.2: -78 - 20 °C

8.1: potassium tert-butylate / tetrahydrofuran / 0.5 h / 20 °C

8.2: 2 h / 0 °C

With oxalyl dichloride; naphthalene; potassium tert-butylate; lithium; sodium hydride; diisobutylaluminium hydride; toluene-4-sulfonic acid; dimethyl sulfoxide; zinc(II) chloride; In tetrahydrofuran; methanol; diethyl ether; dichloromethane; mineral oil; 3.1: Swern oxidation / 3.2: Swern oxidation / 4.1: Horner-Wadsworth-Emmons olefination / 4.2: Horner-Wadsworth-Emmons olefination / 7.1: Swern oxidation / 7.2: Swern oxidation / 8.1: Wittig reaction / 8.2: Wittig reaction;
DOI:10.1021/jo200289f