2-(2-Furyl)-2-butanol

Base Information

• Chemical Name: 2-(2-Furyl)-2-butanol
• CAS No.: 4229-86-1
• Molecular Formula: C₈H₁₂O₂
• Molecular Weight: 140.182
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID70504303
• Nikkaji Number: J971.079E
• Mol file: 4229-86-1.mol

Synonyms:4229-86-1;2-(2-Furyl)-2-butanol;2-(furan-2-yl)butan-2-ol;GYFSFEGAHSZULO-UHFFFAOYSA-;DTXSID70504303;AKOS013264233;InChI=1/C8H12O2/c1-3-8(2,9)7-5-4-6-10-7/h4-6,9H,3H2,1-2H3

Chemical Property of 2-(2-Furyl)-2-butanol

Chemical Property:

• Vapor Pressure: 0.067mmHg at 25°C
• Refractive Index: 1.476
• Boiling Point: 220.1°Cat760mmHg
• Flash Point: 86.9°C
• PSA: 33.37000
• Density: 1.027g/cm³
• LogP: 1.89710
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

2-(2-FURYL)-2-BUTANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-(2-Furyl)-2-butanol

There total 4 articles about 2-(2-Furyl)-2-butanol 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: 50.0%

furan (110-00-9) + butanone (78-93-3) → 2-(2-furyl)-2-butanol (4229-86-1)

Guidance literature:

furan; With n-butyllithium; In diethyl ether; at -50 ℃; for 2h; Reflux;

butanone; In diethyl ether; at -50 ℃; for 4h; Reflux;

DOI:10.1039/c3ra44107e

Reference yield:

1-(2-furyl)-1-ethanone (1192-62-7,80145-44-4) + ethylmagnesium bromide (925-90-6) → 2-(2-furyl)-2-butanol (4229-86-1)

Guidance literature:

In diethyl ether; at -20 - 20 ℃; for 1h;

DOI:10.1016/S0040-4020(01)90463-6

Reference yield:

2-propionylfuran (3194-15-8) + methyl magnesium iodide (917-64-6) → 2-(2-furyl)-2-butanol (4229-86-1)

Guidance literature:

Product distribution; the effect of steric crowding at the carbonyl carbon pf some alkyl 2-furyl ketones on the reaction with alkyl Grignard reagents;

upstream raw materials:

2-propionylfuran

methyl magnesium iodide

furan

butanone

Refernces

• 1、 Asta, Chimene,Schmidt, Dietmar,Conrad, Juergen,Foerster-Fromme, Bernhard,Tolasch, Till,Beifuss, Uwe. "The first enzymatic Achmatowicz reaction: Selective laccase-catalyzed synthesis of 6-hydroxy-(2H)-pyran-3(6H)-ones and (2H)-pyran-2,5(6H)-diones". . p. 19259 - 19263. Retrieved 2013/10/22.
• 2、 Olah, George A.,Berrier, Arthur L.,Prakash, G.K.Surya. "Use of 2-Thienyl, 2-Furyl, 5-Ethyl-2-furyl, and Protonated 4-Acetylphenyl Substituents in Carbon-14 Nuclear Magnetic Resonance Chemical Shift Correlations". . p. 3903 - 3909. Retrieved 2007/10/02.