1-(Furan-2-yl)-2,2-dimethylpropane-1,3-diol

Base Information

• Chemical Name: 1-(Furan-2-yl)-2,2-dimethylpropane-1,3-diol
• CAS No.: 4946-64-9
• Molecular Formula: C9H14O3
• Molecular Weight: 170.20600
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID80461877
• Nikkaji Number: J2.156.233E
• Mol file: 4946-64-9.mol

Synonyms:1-(Furan-2-yl)-2,2-dimethylpropane-1,3-diol;4946-64-9;1-(2-Furyl)-2,2-dimethyl-1,3-propanediol;DTXSID80461877;MFCD00720174;AKOS005073706;SB61780;SS-2262;CS-0357942;J-503552

Chemical Property of 1-(Furan-2-yl)-2,2-dimethylpropane-1,3-diol

Chemical Property:

• Melting Point: 61-62 °C
• Boiling Point: 286.4±25.0 °C(Predicted)
• PKA: 13.72±0.20(Predicted)
• PSA: 53.60000
• Density: 1.131±0.06 g/cm3(Predicted)
• LogP: 1.33150
• Storage Temp.: 2-8°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 170.094294304
• Heavy Atom Count: 12
• Complexity: 145

Purity/Quality:

98%min ^*data from raw suppliers

2-(1,3-Dihydroxy-2,2-dimethylprop-1-yl)furan ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CO)C(C1=CC=CO1)O

Technology Process of 1-(Furan-2-yl)-2,2-dimethylpropane-1,3-diol

There total 3 articles about 1-(Furan-2-yl)-2,2-dimethylpropane-1,3-diol 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: 72.0%

furfural (98-01-1) + isobutyraldehyde (78-84-2) → 1-(furan-2-yl)-2,2-dimethylpropane-1,3-diol (4946-64-9)

Guidance literature:

With potassium hydroxide; In ethanol; at 50 - 60 ℃; for 5h;

DOI:10.1021/jo00223a018

Reference yield:

furfural (98-01-1) + 2-methyl-1-(trimethylsilyloxy)-1-propene (6651-34-9) → 1-(furan-2-yl)-2,2-dimethylpropane-1,3-diol (4946-64-9)

Guidance literature:

furfural; 2-methyl-1-(trimethylsilyloxy)-1-propene; With lithium acetate; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

With hydrogenchloride; In N,N-dimethyl-formamide; at -45 ℃;

With sodium tetrahydroborate; sodium hydrogencarbonate; In methanol; N,N-dimethyl-formamide; at -45 - 20 ℃;

DOI:10.1246/cl.2005.614

Reference yield:

→ 1-(furan-2-yl)-2,2-dimethylpropane-1,3-diol (4946-64-9)

Guidance literature:

With ethanol; aluminium amalgam;

upstream raw materials:

furfural

isobutyraldehyde

2-methyl-1-(trimethylsilyloxy)-1-propene

Refernces

• 1、 Kawano, Yoshikazu,Fujisawa, Hidehiko,Mukaiyama, Teruaki. "Lithium acetate-catalyzed crossed aldol reaction between aldehydes and trimethylsilyl enolates generated from other aldehydes". . p. 614 - 615. Retrieved 2007/10/03.