4-Methylhepta-1,6-dien-4-ol

Base Information

• Chemical Name: 4-Methylhepta-1,6-dien-4-ol
• CAS No.: 25201-40-5
• Molecular Formula: C8H14 O
• Molecular Weight: 126.199
• European Community (EC) Number: 246-731-0
• NSC Number: 71540
• UNII: TLM3OZ6DGP
• DSSTox Substance ID: DTXSID20179868
• Nikkaji Number: J49.273F
• Wikidata: Q83050384
• Mol file: 25201-40-5.mol

Synonyms:4-Methylhepta-1,6-dien-4-ol;25201-40-5;Diallyl methyl carbinol;4-Methyl-1,6-heptadien-4-ol;1,1-diallylethanol;Diallylmethylcarbinol;1,6-HEPTADIEN-4-OL, 4-METHYL-;4-Methyl-1,6-heptadiene-4-ol;4-Hydroxy-4-methylhepta-1,6-diene;TLM3OZ6DGP;EINECS 246-731-0;NSC 71540;BRN 1740036;AI3-13083;NSC-71540;4-01-00-02260 (Beilstein Handbook Reference);4-methyl-hepta-1,6-dien-4-ol;NSC71540;UNII-TLM3OZ6DGP;NCIOpen2_000616;SCHEMBL1537973;WAXJJHZQRWWQIR-UHFFFAOYSA-;DTXSID20179868;MFCD00026110;AKOS000276699;SB85110;LS-74223;4-HYDROXY-4-METHYL-1,6-HEPTADIENE;FT-0606089;EN300-1608380

Chemical Property of 4-Methylhepta-1,6-dien-4-ol

Chemical Property:

• Vapor Pressure: 0.934mmHg at 25°C
• Melting Point: 140-142 °C
• Refractive Index: 1.4500
• Boiling Point: 158.4°Cat760mmHg
• PKA: 14.97±0.29(Predicted)
• Flash Point: 68.8°C
• Density: 0.85g/cm³
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 95.1

Purity/Quality:

99% ^*data from raw suppliers

4-Hydroxy-4-methylhepta-1,6-diene ^*data from reagent suppliers

Safty Information:

• Statements: R10:Flammable.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36:Wear suitable prot

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC=C)(CC=C)O
• Uses: 4-Hydroxy-4-methylhepta-1,6-diene is a compound useful in organic synthesis.

Technology Process of 4-Methylhepta-1,6-dien-4-ol

There total 20 articles about 4-Methylhepta-1,6-dien-4-ol 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%

acetic acid methyl ester (79-20-9) + tris(allyl)aluminum (18854-66-5) → 1,1-diallylethanol (25201-40-5)

Guidance literature:

In diethyl ether; at 20 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2007.07.008

Reference yield: 98.0%

acetic anhydride (108-24-7) + tris(allyl)aluminum (18854-66-5) → 1,1-diallylethanol (25201-40-5)

Guidance literature:

In diethyl ether; at 20 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2007.07.008

Reference yield: 94.0%

ethyl acetate (141-78-6) + allylmagnesium bromide (1730-25-2) → 1,1-diallylethanol (25201-40-5)

Guidance literature:

In tetrahydrofuran; diethyl ether;

DOI:10.1039/c39800000400

upstream raw materials:

allyl iodid

acetic anhydride

ethyl acetate

allylmagnesium bromide

Downstream raw materials:

mevalonolactone

3-methyl-1,3,5-pentanetriol

4-benzyloxy-4-methyl-1,6-heptadiene

1-benzyloxy-1-methyl-cyclopent-3-ene

Refernces

• 1、 Walker, Paul D.,Williams, Christopher,Weir, Angus N. M.,Wang, Luoyi,Crosby, John,Race, Paul R.,Simpson, Thomas J.,Willis, Christine L.,Crump, Matthew P.. "Control of β-Branching in Kalimantacin Biosynthesis: Application of 13C NMR to Polyketide Programming". supporting information. p. 12446 - 12450. Retrieved 2019/08/16.
• 2、 Wei, Yu-Juan,Ren, Heng,Wang, Jin-Xian. "Solvent- and catalyst-free gem-bisallylation of carboxylic acid derivatives with allylzinc bromide". . p. 5697 - 5699. Retrieved 2008/12/22.