74338-98-0

Basic information

• Product Name: 1,2-Propanediol,3-(1,1-dimethylethoxy)-
• Synonyms: 3-(tert-Butyloxy)-1,2-propanediol;Glycerol 1-mono-tert-butyl ether
• CAS NO: 74338-98-0
• Molecular Formula: C₇H₁₆O₃
• Molecular Weight: 148.2001
• Mol File: 74338-98-0.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 254.6°C at 760 mmHg
• Flash Point: 114 °C
• Appearance: /
• Density: 1.0 g/mL at 20 °C(lit.)
• Vapor Pressure: 0.0026mmHg at 25°C
• Refractive Index: 1.45
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• PKA: 13.70±0.20(Predicted)
• BRN: 1698535
• CAS DataBase Reference: 1,2-Propanediol,3-(1,1-dimethylethoxy)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2-Propanediol,3-(1,1-dimethylethoxy)-(74338-98-0)
• EPA Substance Registry System: 1,2-Propanediol,3-(1,1-dimethylethoxy)-(74338-98-0)

Safety Data

• Safety Statements: 23-24/25
• WGK Germany: 3
• F: 3-9
• Hazardous Substances Data: 74338-98-0(Hazardous Substances Data)

Usage

Uses

(±)-3-tert-Butoxy-1,2-propanediol may be used in chemical synthesis studies.

InChI:InChI=1/C7H16O3/c1-7(2,3)10-5-6(9)4-8/h6,8-9H,4-5H2,1-3H3

Upstream product

• 56-81-5 glycerol 
• 75-65-0 tert-butyl alcohol 
• 115-11-7 isobutene 
• 1634-04-4 tert-butyl methyl ether 
• 7665-72-7 t-butyl glycidyl ether 
• 555-44-2 glyceroltripalmitate 
• 1118-00-9 methyl t-butylmethyl ether 

Downstream Products

• 80106-05-4 1-O-tert-butyl-2,3-di-O-p-toluenesulfonylglycerol 
• 122977-53-1 1-O-benzyl-3-O-tert-butylglycerol 
• 137618-67-8 2-O-benzyl-1-O-tert-butylglycerol 

Relevant articles and documents

Mono-, di-, and tri-tert-butyl ethers of glycerol. A molecular spectroscopic study

MS, NMR, IR and Raman molecular spectroscopy techniques were applied to characterize 3-tert-butoxy-propane-1,2-diol, 1,3-di-tert-butoxy-propan-2-ol, and 1,2,3-tri-tert-butoxy-propane. These ethers are the main products of glycerol etherification reaction and are excellent oxygen additives for diesel fuel. Computational DFT/ B3LYP/6-31G** studies were performed to support and rationalize both vibrational spectroscopy analysis and the isomer ratio.

Sulfonated niobia and pillared clay as catalysts in etherification reaction of glycerol

Sulfonated niobia (HY-340 CBMM) and pillared clay (Fluka) were tested in the catalytic conversion of glycerol by etherification reactions. The solids were treated with concentrated fuming sulfuric acid (AS100 and NS100), and a 30% aqueous solution of this acid (AS30 and NS30). Both the presence of sulfur and the increase in the acidity of the solids demonstrate the suitability of the sulfonation process, especially in samples treated with concentrated fuming sulfuric acid. The best catalyst for the reaction of etherification with tert-butyl alcohol was AS100, with a glycerol conversion of 95% after 5 h at 393 K and yield of 60.3, 33.2 and 5.4%, respectively for mono-tert-butyl-glycerol (MTBG), di-tert-butyl-glycerol (DTBG) and tri-tert-butyl-glycerol (TTBG).

Preparation method of 1,3-propanediol

The invention discloses a preparation method of 1,3-propanediol, and relates to the technical field of chemical synthesis. According to the scheme, glycerol is used as a raw material to prepare 1,3 propylene glycol by using a functional group directional protection method, that is, a terminal hydroxyl group is selectively protected through an etherification reaction, secondary hydroxyl group is removed through a sulfonylation reaction and a reduction reaction, and a protective group is removed. The process of the preparation method provided by the invention has the characteristics of high yield, few byproducts, low cost, easy separation and the like, is an environment-friendly and economical route, overcomes the defects of complex operation and low yield in the prior art, and has a wide development prospect.

Nanostructured MFI-type zeolites as catalysts in glycerol etherification with tert-butyl alcohol

Hierarchical zeolite possessing MFI framework type was hydrothermally prepared using C22H45???N+(CH3)2???C6H12???N+(CH3)2???C6H13 as a structure-directing agent in a seed-assisted synthesis method. The nanosponge-like morphology was composed of a three-dimensional disordered network of MFI layers with 2.5?nm thickness supporting each other. Catalytic performance of the MFI nanosponge was investigated in glycerol etherification with tert-butyl alcohol in liquid phase and compared to conventional microporous MFI zeolite and MFI unilamelar nanosheet. The hierarchical zeolites were much more active, which can be attributed to the acid sites located on the external surfaces accessible for the reaction of bulky reactants.