1-Octen-4-ol, 4-methyl-

Base Information

• Chemical Name: 1-Octen-4-ol, 4-methyl-
• CAS No.: 62108-06-9
• Molecular Formula: C9H18O
• Molecular Weight: 142.23900
• DSSTox Substance ID: DTXSID60453730
• Nikkaji Number: J401.967I
• Mol file: 62108-06-9.mol

Synonyms:1-Octen-4-ol, 4-methyl-;4-methyloct-1-en-4-ol;62108-06-9;4-methyl-1-octen-4-ol;2-Allyl-2-hexanol;starbld0034226;4-methyl-oct-1-en-4-ol;SCHEMBL10861366;DTXSID60453730;AKOS030254896

Chemical Property of 1-Octen-4-ol, 4-methyl-

Chemical Property:

• Melting Point: -7°C (estimate)
• Refractive Index: 1.4391 (estimate)
• Boiling Point: 224.85°C (estimate)
• PSA: 20.23000
• Density: 0.8660 (estimate)
• LogP: 2.50370
• Storage Temp.: -20°C Freezer
• Solubility.: DCM, Ethyl Acetate
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 142.135765193
• Heavy Atom Count: 10
• Complexity: 98.9

Purity/Quality:

4-Methyl-1-octen-4-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C)(CC=C)O
• Uses: 4-Methyl-1-octen-4-ol is an intermediate in the synthesis of Misoprostol (M368755), an cytoprotective prostaglandin PGE analogue.

Technology Process of 1-Octen-4-ol, 4-methyl-

There total 16 articles about 1-Octen-4-ol, 4-methyl- 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: 96.0%

2-(1-butyl-1-methyl-but-3-enyloxy)-tetrahydro-pyran → allylmethylbutyl carbinol (62108-06-9)

Guidance literature:

With carbon tetrabromide; In methanol; at 65 ℃; for 1h; Heating;

DOI:10.1016/S0040-4039(98)02602-1

Reference yield: 96.0%

n-hexan-2-one (591-78-6) + allylmagnesium bromide (2622-05-1) → allylmethylbutyl carbinol (62108-06-9)

Guidance literature:

In tetrahydrofuran; at -78 ℃; Inert atmosphere;

DOI:10.1002/ejoc.201402557

Reference yield: 90.0%

4-(2-methoxy-ethoxymethoxy)-4-methyl-oct-1-ene → allylmethylbutyl carbinol (62108-06-9)

Guidance literature:

With carbon tetrabromide; In isopropyl alcohol; for 1h; Heating;

DOI:10.1016/S0040-4020(01)00062-X

upstream raw materials:

allyl iodid

n-hexan-2-one

n-butyl magnesium bromide

1-bromo-2-hydroxy-2-methyl-3-butene

Downstream raw materials:

5-butyl-5-methyl-tetrahydro-furan-3-ol