29425-54-5

Basic information

• Product Name: 7-oxoheptyl acetate
• Synonyms: 7-Oxoheptyl acetate; heptanal, 7-(acetyloxy)-
• CAS NO: 29425-54-5
• Molecular Formula: C₉H₁₆O₃
• Molecular Weight: 172.2215
• EINECS: 608-361-1
• Mol File: 29425-54-5.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 244.448°C at 760 mmHg
• Flash Point: 100.331°C
• Density: 0.968g/cm³
• Vapor Pressure: 0.03mmHg at 25°C
• Refractive Index: 1.427
• CAS DataBase Reference: 7-oxoheptyl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 7-oxoheptyl acetate(29425-54-5)
• EPA Substance Registry System: 7-oxoheptyl acetate(29425-54-5)

Safety Data

• Hazardous Substances Data: 29425-54-5(Hazardous Substances Data)

Upstream product

• 22054-13-3 7-hydroxyheptanal 
• 108-24-7 acetic anhydride 
• 135736-49-1 2-(6-acetoxyhexyl)-1,3-dioxolane 
• 139886-56-9 1-acetoxy-7-nitroheptane 
• 59694-63-2 acetic acid 7-hydroxyheptyl ester 
• 5048-26-0 5-hexenyl acetate 
• 201230-82-2 carbon monoxide 
• 629-30-1 1,7-heptandiol 
• 133088-94-5 7-nitroheptan-1-ol 
• 35376-00-2 methyl 7-oxoheptanoate 
• 14565-11-8 methyl 7-hydroxyheptanoate 
• 91873-93-7 methyl 6-(1,3-dioxolan-2-yl)hexanoate 
• 563539-34-4 6-[1,3]Dioxolan-2-yl-hexan-1-ol 
• 502-42-1 cycloheptanone 

Downstream Products

• 75812-59-8 Acetic acid (Z)-11-(diphenyl-phosphinoyl)-undec-7-enyl ester 
• 52207-99-5 (7Z,11Z)-7,11-hexadecadien-1-yl acetate 
• 51607-94-4 trans-7,cis-11-hexadecadienyl-1-ol acetate 
• 53042-79-8 1-acetoxyhexadeca-7Z,11E-diene 
• 53042-81-2 (7Z,11Z/E)-7,11-hexadecadienyl acetate 
• 75812-60-1 11-(2-tetrahydropyranyloxy)-4Z-undecenyldiphenylphosphine oxide 

Relevant articles and documents

Access to the core structure of aurisides by a ring-closing metathesis/transannular ketalisation sequence

A short access to the macrocyclic structure of aurisides has been achieved by combining a ring-closing metathesis leading first to a 14-membered ring and a subsequent transannular ketalisation to build the tetrahydropyran subunit.

A Convenient Synthesis of 7-Acetoxyheptanal and 6-Methylheptanal

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Chemo- And regioselective hydroformylation of alkenes with CO2/H2over a bifunctional catalyst

As is well known, CO2 is an attractive renewable C1 resource and H2 is a cheap and clean reductant. Combining CO2 and H2 to prepare building blocks for high-value-added products is an attractive yet challenging topic in green chemistry. A general and selective rhodium-catalyzed hydroformylation of alkenes using CO2/H2 as a syngas surrogate is described here. With this protocol, the desired aldehydes can be obtained in up to 97% yield with 93/7 regioselectivity under mild reaction conditions (25 bar and 80 °C). The key to success is the use of a bifunctional Rh/PTA catalyst (PTA: 1,3,5-triaza-7-phosphaadamantane), which facilitates both CO2 hydrogenation and hydroformylation. Notably, monodentate PTA exhibited better activity and regioselectivity than common bidentate ligands, which might be ascribed to its built-in basic site and tris-chelated mode. Mechanistic studies indicate that the transformation proceeds through cascade steps, involving free HCOOH production through CO2 hydrogenation, fast release of CO, and rhodium-catalyzed conventional hydroformylation. Moreover, the unconventional hydroformylation pathway, in which HCOOAc acts as a direct C1 source, has also been proved to be feasible with superior regioselectivity to that of the CO pathway.

A acetic acid 7 E, 9 Z - twelve carbon two alkene ester synthesis method (by machine translation)

The present invention provides a kind of acetic acid 7 E, 9 Z - twelve carbon two alkene ester synthesis method, which belongs to the technical field of organic synthesis. The present invention provides a method to synthesis of 1, 5 - dibromo-pentane as the starting material for the preparation of 1, 7 - heptyl glycol, then single-esterification reaction to produce acetic acid 7 - hydroxy heptyl esters, acetic acid 7 - hydroxy heptyl esters obtained after the oxidation of acetic acid 7 - [...], acetic acid 7 - [...] 1st Wittig reagent occurs with the 1st Wittig reaction, by hydrolytic reaction, to obtain acetic acid 9 - oxo - 7 E - [...], acetic acid 9 - oxo - 7 E - [...] 2nd Wittig reagent occurs with the 2nd Wittig reaction, to obtain acetic acid 7 E, 9 Z - [...], the route the required raw materials are cheap and easy to get, only five-step to get the final product. (by machine translation)