1,1-Dimethoxyheptane

Base Information

• Chemical Name: 1,1-Dimethoxyheptane
• CAS No.: 10032-05-0
• Molecular Formula: C9H20O2
• Molecular Weight: 160.257
• Hs Code.: 2911000000
• European Community (EC) Number: 233-103-6
• UNII: RMC47KWZ4J
• DSSTox Substance ID: DTXSID0064919
• Nikkaji Number: J129.300A
• Wikidata: Q27288188
• Metabolomics Workbench ID: 49040
• Mol file: 10032-05-0.mol

Synonyms:heptanal dimethyl acetal

Chemical Property of 1,1-Dimethoxyheptane

Chemical Property:

• Appearance/Colour: COA
• Vapor Pressure: 1.51mmHg at 25°C
• Refractive Index: n20/D 1.4105(lit.)
• Boiling Point: 175.9 °C at 760 mmHg
• Flash Point: 40.2 °C
• PSA: 18.46000
• Density: 0.842 g/cm³
• LogP: 2.57570
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 160.146329876
• Heavy Atom Count: 11
• Complexity: 70

Purity/Quality:

99% ^*data from raw suppliers

1,1-Dimethoxyheptane 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(OC)OC
• Description: Heptanal dimethyl acetal has a pleasant odor reminiscent of walnut and cognac. This substance may be synthesized from heptyl aldehyde and HCL in methanol solution, from heptyl aldehyde and methanol in the presence of Twitchell’s reagent.

Technology Process of 1,1-Dimethoxyheptane

There total 34 articles about 1,1-Dimethoxyheptane 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: 97.0%

methanol (67-56-1) + heptanal (111-71-7) → 1,1-dimethoxyheptane (10032-05-0)

Guidance literature:

With trimethyl orthoformate; at 20 ℃; for 0.5h;

DOI:10.1080/00397910802219361

Reference yield: 93.0%

heptanal (111-71-7) + ethylene glycol (107-21-1) → 2-hexyl-1,3-dioxolane (1708-34-5) + 1,1-dimethoxyheptane (10032-05-0)

Guidance literature:

With trimethyl orthoformate; aminopropylated Silica-Gel hydrochloride (APSG*HCl) resin; for 8h; Yields of byproduct given; Ambient temperature;

DOI:10.1016/S0040-4020(01)91796-X

Reference yield: 92.0%

heptanal (111-71-7) + trimethyleneglycol (504-63-2) → 2-hexyl-1,3-dioxolane (6290-20-6) + 1,1-dimethoxyheptane (10032-05-0)

Guidance literature:

With trimethyl orthoformate; aminopropylated Silica-Gel hydrochloride (APSG*HCl) resin; for 15h; Yields of byproduct given; Ambient temperature;

DOI:10.1016/S0040-4020(01)91796-X

upstream raw materials:

methanol

heptanal

1-chloro-1-methoxy-heptane

2-hexyl-1,3-dithiolane

Downstream raw materials:

(E)-2-n-pentyl-2-n-nonenal

jasminaldehyde

1-methoxy-2-pentyl-1H-indene

(E)-1-heptenylbenzene

Refernces

• 1、 Sekerová, Lada,Lhotka, Miloslav,Vysko?ilová, Eli?ka,Faukner, Tomá?,Slováková, Eva,Brus, Ji?í,?erveny, Libor,Sedlá?ek, Jan. "Hyper-Cross-Linked Polyacetylene-Type Microporous Networks Decorated with Terminal Ethynyl Groups as Heterogeneous Acid Catalysts for Acetalization and Esterification Reactions". . p. 14742 - 14749. Retrieved 2018.
• 2、 Wang, Wei-Bo,Shi, Li-Lan,Huang, Yao-Zeng. "AN EFFICIENT SbCl3-METAL SYSTEM FOR ALLYLATION, REDUCTION AND ACETALIZATION OF ALDEHYDES". . p. 3315 - 3320. Retrieved 1990.
• 3、 Leonard, Nicholas M.,Oswald, Matthew C.,Freiberg, Derek A.,Nattier, Bryce A.,Smith, Russell C.,Mohan, Ram S.. "A simple and versatile method for the synthesis of acetals from aldehydes and ketones using bismuth triflate". . p. 5202 - 5207. Retrieved 2002.
• 4、 Corma,Rodriguez,Climent,Iborra,Fornes. "Use of delaminated zeolites (ITQ-2) and mesoporous molecular sieves in the production of fine chemicals: Preparation of dimethylacetals and tetrahydropyranylation of alcohols and phenols". . p. 441 - 447. Retrieved 2000.
• 5、 Sakurai, Hideki,Sasaki, Koshi,Hayashi, Josaburo,Hosomi, Akira. "Acetalization of Carbonyl Compounds with Alkoxysilanes Catalyzed by Iodotrimethylsilane. "One-Pot" Allylation Reactions of Carbonyl Compounds to Homoallyl Ethers Using an Allylsilane". . p. 2808 - 2809. Retrieved 1984.
• 6、 Kshirsagar, Siddheshwar W.,Patil, Nitin R.,Samant, Shriniwas D.. "Chemoselective protection of aldehydes in the presence of ketones using rupvp complex as a heterogeneous catalyst". . p. 407 - 413. Retrieved 2010.
• 7、 Corey,E.J.,Hase,T.. "-". . p. 3267 - 3268. Retrieved 1975.
• 8、 Cao, Fu-Rong,Lu, Guangying,Ren, Jiangmeng,Wang, Di,Zeng, Bu-Bing. "Practical acetalization and transacetalization of carbonyl compounds catalyzed by recyclable PVP-I". . . Retrieved 2021/06/21.
• 9、 Subaramanian, Murugan,Landge, Vinod G.,Mondal, Akash,Gupta, Virendrakumar,Balaraman, Ekambaram. "Nickel-Catalyzed Chemoselective Acetalization of Aldehydes With Alcohols under Neutral Conditions". supporting information. p. 4557 - 4562. Retrieved 2019/08/30.