Dibuprol

Base Information

• Chemical Name: Dibuprol
• CAS No.: 2216-77-5
• Molecular Formula: C11H24O3
• Molecular Weight: 204.31
• Hs Code.: 2909499000
• European Community (EC) Number: 218-697-7
• NSC Number: 71470
• UNII: 1627CY4S8U
• DSSTox Substance ID: DTXSID40176692
• Nikkaji Number: J7.366K
• Wikidata: Q27251764
• NCI Thesaurus Code: C77839
• ChEMBL ID: CHEMBL2106237
• Mol file: 2216-77-5.mol

Synonyms:Dibuprol;1,3-Dibutoxy-2-propanol;2216-77-5;1,3-dibutoxypropan-2-ol;Dibuprol [INN];Di-n-butyl-glycerol diether;2-Propanol, 1,3-dibutoxy-;Dibuprolum;Dibuprolum [INN-Latin];EINECS 218-697-7;NSC 71470;NSC-71470;BRN 1746030;2-PROPANOL, 1,3-DI-n-BUTOXY-;UNII-1627CY4S8U;AI3-14313;1627CY4S8U;2-Propanol,1,3-dibutoxy-;2-Propanol,3-dibutoxy-;2-Propanol,3-di-n-butoxy-;WLN: 4O1YQ1O4;SCHEMBL1816462;CHEMBL2106237;DTXSID40176692;NSC71470;AKOS024354821;AM806734;LS-122037;FT-0690861;SR-01000944688;SR-01000944688-1;Q27251764

Chemical Property of Dibuprol

Chemical Property:

• Vapor Pressure: 0.000327mmHg at 25°C
• Refractive Index: 1.438
• Boiling Point: 285.1 °C at 760 mmHg
• Flash Point: 126.3 °C
• PSA: 38.69000
• Density: 0.925 g/cm³
• LogP: 1.98070
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 204.17254462
• Heavy Atom Count: 14
• Complexity: 94.7

Purity/Quality:

99% ^*data from raw suppliers

1,3-DIBUTOXY-2-PROPANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOCC(COCCCC)O

Technology Process of Dibuprol

There total 11 articles about Dibuprol 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: 92.0%

glycidyl n-butyl ether (2426-08-6) + butan-1-ol (71-36-3) → glycerol 1,3-di-n-butyl ether (2216-77-5)

Guidance literature:

With sulfuric acid; silica gel; at 20 ℃; for 1.2h;

DOI:10.1080/10426500490459722

Reference yield:

butyraldehyde (123-72-8) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 3-n-butoxy-1,2-propanediol (98451-40-2,119066-32-9,119066-33-0,624-52-2) + glycerol 1,3-di-n-butyl ether (2216-77-5) + glycerol 2-mono-n-butyl ether (100078-36-2) + (+/-)-1,2-di-O-butyl-sn-glycerol (91337-36-9)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; at 200 ℃; for 4h; under 51716.2 Torr; Inert atmosphere;

Reference yield:

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + butan-1-ol (71-36-3) → 3-n-butoxy-1,2-propanediol (98451-40-2,119066-32-9,119066-33-0,624-52-2) + glycerol 1,3-di-n-butyl ether (2216-77-5) + glycerol 2-mono-n-butyl ether (100078-36-2) + (+/-)-1,2-di-O-butyl-sn-glycerol (91337-36-9)

Guidance literature:

With zeolite β-40; at 140 ℃; for 5h; Autoclave;

DOI:10.1134/S0965544116010060

upstream raw materials:

1,3-Dichloro-2-propanol

sodium butanolate

n-Butyl chloride

glycerol

Refernces

• 1、 Garca,Pires,Aldea,Lomba,Perales,Giner. "Ecotoxicity studies of glycerol ethers in Vibrio fischeri: checking the environmental impact of glycerol-derived solvents". supporting information. p. 4326 - 4333. Retrieved 2015/08/11.
• 2、 -. "POLYOL ETHERS AND PROCESS FOR MAKING THEM". Page/Page column 8. . Retrieved 2010/03/31.