Ethyl 7-oxoheptanoate

Base Information

• Chemical Name: Ethyl 7-oxoheptanoate
• CAS No.: 3990-05-4
• Molecular Formula: C9H16 O3
• Molecular Weight: 172.224
• Hs Code.: 2918300090
• European Community (EC) Number: 223-636-2
• DSSTox Substance ID: DTXSID40192953
• Nikkaji Number: J217.816H
• Wikidata: Q72476504
• Mol file: 3990-05-4.mol

Synonyms:Ethyl 7-oxoheptanoate;3990-05-4;Heptanoic acid, 7-oxo-, ethyl ester;ethyl7-oxoheptanoate;6-Formylhexansaeure-ethylester;7-oxoHeptanoic acid ethyl ester;ethyl 6-formylhexanoate;SCHEMBL362356;DTXSID40192953;EINECS 223-636-2;MFCD07186258;AKOS006286759;AS-49776;AM20112003;FT-0696260;N10484

Chemical Property of Ethyl 7-oxoheptanoate

Chemical Property:

• Vapor Pressure: 0.0668mmHg at 25°C
• Refractive Index: 1.4405 (20℃)
• Boiling Point: 230.2°Cat760mmHg
• Flash Point: 92.2°C
• PSA: 43.37000
• Density: 0.968g/cm³
• LogP: 1.69890
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 132

Purity/Quality:

97% ^*data from raw suppliers

7-OXO-HEPTANOIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCCCC=O

Technology Process of Ethyl 7-oxoheptanoate

There total 20 articles about Ethyl 7-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: 91.0%

ethyl 7,7-diethoxyheptanoate (92169-43-2) → ethyl 6-formylhexanoate (3990-05-4)

Guidance literature:

With hydrogenchloride; In water; acetone; at 20 ℃; for 1.5h;

Reference yield: 90.0%

ethyl 7-hydroxyheptanoate (6149-48-0) → ethyl 6-formylhexanoate (3990-05-4)

Guidance literature:

With 3 A molecular sieve; pyridinium chlorochromate; In dichloromethane; for 1h; Ambient temperature;

DOI:10.1080/00397919108019797

Reference yield: 87.0%

7-ethoxy-7-oxoheptanoic acid (33018-91-6) → ethyl 6-formylhexanoate (3990-05-4)

Guidance literature:

With methylphenylsilane; C₆₁H₉₀O₆P₂; copper(l) cyanide; propionic acid anhydride; In tetrahydrofuran; at 60 ℃; for 10h; Schlenk technique; Inert atmosphere;

upstream raw materials:

ethyl 6-(chloroformyl)hexanoate

ethyl 7-bromoheptanoate

1-ethoxy-cycloheptene

ethyl 7-hydroxyheptanoate

Downstream raw materials:

DL-Mycobacidinethylester

(Z)-8-(3,5-Dimethoxy-phenyl)-oct-7-enoic acid ethyl ester

ethyl 7-oxo-7-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]heptanoate

(Z)-tetradec-7-en-1-ol