Einecs 306-416-1

Base Information

• Chemical Name: Einecs 306-416-1
• CAS No.: 97232-74-1
• Molecular Formula: C₃₀H₅₀O
• Molecular Weight: 426.726
• European Community (EC) Number: 306-416-1
• DSSTox Substance ID: DTXSID00880682
• Nikkaji Number: J2.116.796G,J1.955.553D

Synonyms:EINECS 306-416-1;(E,E,E,E,E,E)-(1)-2,6,10,15,19,23-Hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol;1,6,10,14,18,22-Tetracosahexaen-3-ol, 2,6,10,15,19,23-hexamethyl-, (all-E)-;97232-74-1;DTXSID00880682;JLUBMMAQMKVTGL-RLROCYJYSA-N;2,6,10,15,19,23-Hexamethyltetracosane-1,6,10,14,18,22-hexene-3-ol;(6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyl-1,6,10,14,18,22-tetracosahexaen-3-ol #;(6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyl-1,6,10,14,18,22-tetracosahexaene-3-ol;(E,E,E,E,E,E)-(+-)-2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol;54159-46-5

Chemical Property of Einecs 306-416-1

Chemical Property:

• XLogP3: 10.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 16
• Exact Mass: 426.386166214
• Heavy Atom Count: 31
• Complexity: 663

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Einecs 306-416-1

There total 7 articles about Einecs 306-416-1 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: 98.0%

2,3-Oxidosqualene (14050-42-1,54910-48-4,54910-49-5,54910-50-8,55058-26-9,55058-27-0,132199-42-9,138809-21-9,147731-51-9,7200-26-2,54274-53-2,71606-52-5) → (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosadeca-1,6,10,14,18,22-hexaen-3-ol (97232-74-1)

Guidance literature:

With aluminum isopropoxide; In toluene; for 8h; Heating;

DOI:10.1007/BF00962117

Reference yield: 26.0%

2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene (111-02-4) → (2E,6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosadeca-2,6,10,14,18,23-hexaene-1,22-diol + (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosadeca-1,6,10,14,18,22-hexaen-3-ol (97232-74-1) + (2E,6E,10E,14E,18E,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene-1-ol (79370-71-1) + (2E,6E,10E,14E,18E,22E)-2,6,10,15,19,23-hexamethyltetracosadeca-2,6,10,14,18,22-hexaene-1,24-diol (79370-70-0)

Guidance literature:

Multistep reaction;

DOI:10.1021/jo060760d

Reference yield:

squalene 2,3(S)-oxide (54910-48-4,54274-53-2,71606-52-5) → (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosadeca-1,6,10,14,18,22-hexaen-3-ol (97232-74-1)

Guidance literature:

With lithium diethylamide; In tetrahydrofuran;

DOI:10.1021/ja00186a062

upstream raw materials:

2,3-Oxidosqualene

2-bromoprop-1-ene

(4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenal

squalene 2,3(S)-oxide

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