1,3-Diethoxy-2-propanol

Base Information

• Chemical Name: 1,3-Diethoxy-2-propanol
• CAS No.: 4043-59-8
• Molecular Formula: C7H16O3
• Molecular Weight: 148.202
• Hs Code.: 2909 49 80
• European Community (EC) Number: 223-736-6
• NSC Number: 403841
• UNII: 2G6N5234UJ
• DSSTox Substance ID: DTXSID20193443
• Nikkaji Number: J150.879B
• Wikidata: Q27254699
• Mol file: 4043-59-8.mol

Synonyms:1,3-Diethoxy-2-propanol;1,3-Diethoxypropan-2-ol;4043-59-8;Diethylin;Glycerol 1,3-diethyl ether;1,3-Glycerine diethyl ether;2-Propanol, 1,3-diethoxy-;Glycerol 1,3-bis(ethyl ether);Glycerol alpha,gamma-diethyl ether;EINECS 223-736-6;34923-32-5;NSC 403841;Glycerol .alpha.,.gamma.-diethyl ether;1-Propanol, 1,3-diethoxy-;UNII-2G6N5234UJ;AI3-02342;2G6N5234UJ;NSC-403841;1,3-diethyl glycerol;2-Propanol,3-diethoxy-;C(O)(COCC)COCC;SCHEMBL698450;AMY9373;DTXSID20193443;1,3-DIETHYL GLYCERIN ETHER;Glycerol alpha,alpha'-Diethyl Ether;MFCD00026934;NSC403841;2-Propanol, 1,3-diethoxy- (8CI);AKOS006229410;SB83894;LS-122073;CS-0217718;D0460;FT-0606656;EN300-83205;D87788;A825105;W-106354;Q27254699

Chemical Property of 1,3-Diethoxy-2-propanol

Chemical Property:

• Vapor Pressure: 0.0447mmHg at 25°C
• Refractive Index: 1.4120
• Boiling Point: 210.086 °C at 760 mmHg
• PKA: 13.71±0.20(Predicted)
• Flash Point: 80.857 °C
• PSA: 38.69000
• Density: 0,958 g/cm³
• LogP: 0.42030
• Storage Temp.: Store below +30°C.
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 148.109944368
• Heavy Atom Count: 10
• Complexity: 57.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,3-Diethoxy-2-propanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOCC(COCC)O
• Uses: 1,3-Diethoxy-2-propanol is used to prepare 3-(4-benzyloxyphenyl)propanoic acid derivatives, useful as GPR40 receptor modulators.

Technology Process of 1,3-Diethoxy-2-propanol

There total 18 articles about 1,3-Diethoxy-2-propanol 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: 93.0%

1,3-Dichloro-2-propanol (96-23-1) + sodium ethanolate (141-52-6) → 1,3-diethoxy-isopropanol (4043-59-8)

Guidance literature:

In ethanol; for 1.5h; Heating;

DOI:10.1021/jo991211t

Reference yield: 59.0%

ethanol (64-17-5) + 1,3-Dichloro-2-propanol (96-23-1) → 1,3-diethoxy-isopropanol (4043-59-8)

Guidance literature:

With sodium ethanolate; at 20 ℃;

DOI:10.1039/b111097g

Reference yield:

ethanol (64-17-5) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 1,2-diethoxy-3-propanol (4756-20-1) + diethyl ether (60-29-7,927820-24-4) + 3-ethoxy-1,2-propanediol (1874-62-0) + 1,3-diethoxy-isopropanol (4043-59-8) + 2-ethoxy-propane-1,3-diol (22598-16-9)

Guidance literature:

With Amberlyst A-35 resin; at 159.84 ℃; for 6h;

DOI:10.1039/b905405g

upstream raw materials:

ethanol

1,3-Dichloro-2-propanol

glycerol-1.3-divinyl ether

1,3-diethoxypropan-2-one

Downstream raw materials:

5-Jod-isophthalsaeure-bis-<1,3-diaethoxy-propyl-(2)-ester>

1,3-diethoxypropan-2-one

ethyl 2-(1-(1,3-diethoxy-2-propoxycarbonyloxy)-2-methylpropyl)-5-(5-isopropoxy-4-methoxy-2-nitrobenzoyl)-2H-1,2,3-triazole-4-carboxylate

oxetan-3-ol

Refernces

• 1、 -. "COMPOSITIONS FOR USE AS FUELS COMPRISING DERIVATIVES OF GLYCEROL". Page/Page column 17; 18. . Retrieved 2014/02/16.
• 2、 Pariente, Stephane,Tanchoux, Nathalie,Fajula, Franois. "Etherification of glycerol with ethanol over solid acid catalysts". scheme or table. p. 1256 - 1261. Retrieved 2010/05/17.