2-Methylhept-6-en-3-one

Base Information

• Chemical Name: 2-Methylhept-6-en-3-one
• CAS No.: 26144-88-7
• Molecular Formula: C8H14O
• Molecular Weight: 126.199
• DSSTox Substance ID: DTXSID80495859
• Nikkaji Number: J47.471A
• Wikidata: Q63409897

Synonyms:2-Methylhept-6-en-3-one;2-methyl-6-hepten-3-one;26144-88-7;6-methylhept-1-en-5-one;2-methyl-hept-6-en-3-one;SCHEMBL515039;DTXSID80495859;Q63409897

Chemical Property of 2-Methylhept-6-en-3-one

Chemical Property:

• Boiling Point: 90-91 °C(Press: 80 Torr)
• PSA: 17.07000
• Density: 0.8483 g/cm3
• LogP: 2.17770
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)CCC=C

Technology Process of 2-Methylhept-6-en-3-one

There total 1 articles about 2-Methylhept-6-en-3-one 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:

1-isopropylcyclopentanol (1462-05-1) → 2-methyl-hept-6-en-3-one (26144-88-7) + cyclopentanone (120-92-3)

Guidance literature:

With pyridine; lead(IV) acetate; copper diacetate; In benzene; at 80 ℃; for 2h;

DOI:10.1007/BF00960267

Reference yield: 80.0%

2-methyl-hept-6-en-3-one (26144-88-7) + aniline (62-53-3) → 2-isopropyl-5-methyl-1-phenyl-1H-pyrrole

Guidance literature:

With palladium(II) trifluoroacetate; oxygen; In toluene; at 100 ℃;

DOI:10.1016/j.tetlet.2016.10.029

Reference yield: 74.0%

2-methyl-hept-6-en-3-one (26144-88-7) + aniline (62-53-3) → 2-methyl-N-phenylhept-6-en-3-imine

Guidance literature:

In toluene; at 80 ℃; for 24h; Inert atmosphere; Molecular sieve; Glovebox;

DOI:10.1021/jacs.8b03163

upstream raw materials:

1-isopropylcyclopentanol

Downstream raw materials:

5-hydroxy-5-(2'-methoxy-5'-methylphenyl)-6-methylhept-1-ene

6-methyl-2,5-heptanedione

2-methyl-6-heptene-3-ol

(+/-)-N-benzyl-N'-(1-i-propyl-penten-4-yl)-sulfamide

Refernces

Reaction with aqueous alkali of diammonium salts with a 1,1-dimethylbut-2-yne-1,4-diyl common group

10.1023/A:1023419530311

The study in the provided document investigates the reaction of quaternary ammonium salts with a 1,1-dimethylbut-2-yne-1,4-diyl common group with aqueous alkali. The research focuses on the intermediate formation of 1,2-cleavage products rather than 1,4-cleavage products. When both nitrogen atoms have allylic groups, a rearrangement followed by cleavage and substitution occurs, leading to the formation of methyl isopropyl ketones. Salts with two 3-methylbut-2-en-1-yl groups result in the cleavage of isoprene. The study also explores the reactions of 1,4-diammonium salts with two methyl substituents in the but-2yne-1,4-diyl common group under the influence of aqueous alkali, detailing the products and mechanisms involved in these chemical transformations.

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