Ethyl 6-methyl-5-oxoheptanoate

Base Information

• Chemical Name: Ethyl 6-methyl-5-oxoheptanoate
• CAS No.: 24071-98-5
• Molecular Formula: C10H18O3
• Molecular Weight: 186.251
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID90540026
• Nikkaji Number: J3.625.726A
• Wikidata: Q82415888
• Mol file: 24071-98-5.mol

Synonyms:ETHYL 6-METHYL-5-OXOHEPTANOATE;24071-98-5;MFCD02261304;ETHYL6-METHYL-5-OXOHEPTANOATE;SCHEMBL9081933;DTXSID90540026;AKOS006278020

Chemical Property of Ethyl 6-methyl-5-oxoheptanoate

Chemical Property:

• Vapor Pressure: 0.018mmHg at 25°C
• Boiling Point: 254.032oC at 760 mmHg
• Flash Point: 104.426oC
• PSA: 43.37000
• Density: 0.957g/cm3
• LogP: 1.94490
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 186.125594432
• Heavy Atom Count: 13
• Complexity: 173

Purity/Quality:

96% ^*data from raw suppliers

Ethyl6-methyl-5-oxoheptanoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCC(=O)C(C)C

Technology Process of Ethyl 6-methyl-5-oxoheptanoate

There total 7 articles about Ethyl 6-methyl-5-oxoheptanoate 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: 74.0%

ethanol (64-17-5) + 5-keto-6-methylheptanoic acid (40564-61-2) → ethyl 5-oxo-5-isopropylpentanoate (24071-98-5)

Guidance literature:

With hydrogenchloride; sulfuric acid; for 12h; Heating;

DOI:10.1002/jhet.5570250550

Reference yield:

2,2-dimethyl-1,3-cyclohexanedione (562-13-0) + oxalic acid diethyl ester (95-92-1) → ethyl 5-oxo-5-isopropylpentanoate (24071-98-5)

Guidance literature:

With sodium hydride; In diethyl ether;

DOI:10.1021/jo00967a017

Reference yield:

ethyl glutaroyl chloride (5205-39-0) + isopropylmagnesium bromide (920-39-8) → ethyl 5-oxo-5-isopropylpentanoate (24071-98-5)

Guidance literature:

With copper(l) iodide; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1021/ja510990v

upstream raw materials:

ethanol

5-keto-6-methylheptanoic acid

2-isopropylidenecyclopentan-1-one

2,2-dimethyl-1,3-cyclohexanedione

Downstream raw materials:

ethyl 5-(4-chlorobenzylimino)-6-methylheptanoate

ethyl 5-(4-fluorobenzylimino)-6-methylheptanoate

ethyl 5-benzylimino-6-methylheptanoate

1-benzyl-6-isopropyl-2-piperidinone