1,1,3,3-Tetramethoxypropane

Base Information

• Chemical Name: 1,1,3,3-Tetramethoxypropane
• CAS No.: 102-52-3
• Molecular Formula: C7H16O4
• Molecular Weight: 164.202
• Hs Code.: 29110000
• European Community (EC) Number: 203-037-2
• NSC Number: 27794
• UNII: GUB3D2SV2S
• DSSTox Substance ID: DTXSID4059255
• Nikkaji Number: J150.146A
• Wikipedia: 1,1,3,3-Tetramethoxypropane
• Wikidata: Q56291702
• ChEMBL ID: CHEMBL592723
• Mol file: 102-52-3.mol

Synonyms:1,1,3,3-tetramethoxypropane;1,1,3,3-TMP

Chemical Property of 1,1,3,3-Tetramethoxypropane

Chemical Property:

• Appearance/Colour: clear colourless to yellow-brown liquid
• Vapor Pressure: 2.658mmHg at 25°C
• Refractive Index: n20/D 1.407(lit.)
• Boiling Point: 183 °C at 760 mmHg
• Flash Point: 54.4 °C
• PSA: 36.92000
• Density: 0.964 g/cm³
• LogP: 0.61430
• Storage Temp.: Store below +30°C.
• Sensitive.: Moisture Sensitive
• Water Solubility.: IMMISCIBLE
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 164.10485899
• Heavy Atom Count: 11
• Complexity: 68.5

Purity/Quality:

99% ^*data from raw suppliers

Tetramethoxypropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CC(OC)OC)OC
• Uses: Organic synthesis. 1,1,3,3-Tetramethoxypropane was used in preparing malondialdehyde standards during malondialdehyde assay on lung homogenates. It was used to study the effect of Salvianolic acid A on the migration and proliferation of vascular smooth muscle cells.

Technology Process of 1,1,3,3-Tetramethoxypropane

There total 26 articles about 1,1,3,3-Tetramethoxypropane 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: 60.0%

methanol (67-56-1) + cyclohexa-1,4-diene (1165952-92-0) → methyl 3,3-dimethoxypropionate (7424-91-1) + malonaldehydebis(dimethylacetal) (102-52-3) + malonic acid dimethyl ester (108-59-8)

Guidance literature:

With hydrogenchloride; ozone; Yields of byproduct given; -40 deg C, then ca. 30 min reflux;

Reference yield: 36.0%

vinyl acetate (108-05-4,9003-20-7) + trimethyl orthoformate (149-73-5) → malonaldehydebis(dimethylacetal) (102-52-3)

Guidance literature:

With iron(III) chloride; sodium hydrogencarbonate; 1) 2 h, reflux; 2) 20 deg C, 2 h;

DOI:10.1007/BF00761992

Reference yield: 8.0%

methoxyethene (107-25-5,9003-09-2) + trimethyl orthoformate (149-73-5) → malonaldehydebis(dimethylacetal) (102-52-3) + 1,1,3,5,5-pentamethoxy-pentane (55546-58-2)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at -78 ℃; for 6h;

DOI:10.1021/jo00248a006

upstream raw materials:

methanol

1,1,3-trimethoxy-3-acethoxypropane

methoxyethene

trifluoroborane diethyl ether

Downstream raw materials:

1,4-Dimethyl-1,4-dihydropyridine-3,5-dicarbaldehyde

1-methyl-4-(dimethoxyethyl)-1,4-dihydropyridine-3,5-dialdehyde

tert-butyl 1H-pyrazole-1-carboxylate

3-(4-nitrophenyl)-[1,2,4]oxadiazole

Refernces

• 1、 Arendaruk,A.P. et al.. "-". . . Retrieved 1973.
• 2、 Wang, Zhao-Yang,Jiang, Huan-Feng,Ouyang, Xiao-Yue,Qi, Chao-Rong,Yang, Shao-Rong. "Pd(II)-catalyzed acetalization of terminal olefins with electron-withdrawing groups in supercritical carbon dioxide: selective control and mechanism". . p. 9846 - 9854. Retrieved 2007/10/03.
• 3、 Gbara-Haj-Yahia, Isra,Zvilichovsky, Gury,Seri, Noa. "Ozonolysis of 1,4-cyclohexadienes in the presence of methanol and acid. Mechanism and intermediates in the conversion of 1,4-cyclohexadiene derivatives to β-keto esters". . p. 4135 - 4139. Retrieved 2007/10/03.