4,5,6,7-Tetrahydrobenzofuran-4-ol

Base Information

• Chemical Name: 4,5,6,7-Tetrahydrobenzofuran-4-ol
• CAS No.: 84099-58-1
• Molecular Formula: C8H10O2
• Molecular Weight: 138.166
• DSSTox Substance ID: DTXSID60517467
• Nikkaji Number: J1.744.470K
• Mol file: 84099-58-1.mol

Synonyms:4,5,6,7-tetrahydrobenzofuran-4-ol;84099-58-1;4,5,6,7-tetrahydro-1-benzofuran-4-ol;MFCD15143789;SCHEMBL7508090;DTXSID60517467;AKOS017515332;4-Benzofuranol, 4,5,6,7-tetrahydro;BS-42899;SY271465;AM20110205;CS-0310073;FT-0688626;D79428;A846789;F2147-2726

Chemical Property of 4,5,6,7-Tetrahydrobenzofuran-4-ol

Chemical Property:

• Boiling Point: 142℃
• PKA: 14.15±0.20(Predicted)
• Flash Point: 39℃
• PSA: 33.37000
• Density: 1.190
• LogP: 1.64930
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

97% ^*data from raw suppliers

4,5,6,7-Tetrahydrobenzofuran-4-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C2=C(C1)OC=C2)O

Technology Process of 4,5,6,7-Tetrahydrobenzofuran-4-ol

There total 7 articles about 4,5,6,7-Tetrahydrobenzofuran-4-ol 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: 100.0%

4-oxo-4,5,6,7-tetrahydrobenzofuran (16806-93-2) → 4-hydroxy-4,5,6,7-tetrahydrobenzofuran (84099-58-1)

Guidance literature:

With sodium tetrahydroborate; In methanol; for 0.5h; Ambient temperature;

DOI:10.1248/cpb.42.2167

Reference yield: 99.0%

→ 4-hydroxy-4,5,6,7-tetrahydrobenzofuran (84099-58-1)

Guidance literature:

With Ru(NNS^Et)(PPh₃)Cl₂; potassium tert-butylate; hydrogen; In isopropyl alcohol; at 80 ℃; for 1h; under 22502.3 Torr; Autoclave; Inert atmosphere;

Reference yield: 78.0%

3,5,6,7,8,8a-Hexahydro-benzo[c][1,2]dioxin-5-ol (94325-49-2,94325-56-1) → 4-hydroxy-4,5,6,7-tetrahydrobenzofuran (84099-58-1)

Guidance literature:

With iron(II) sulfate; In tetrahydrofuran; water;

DOI:10.1021/jo00205a013

upstream raw materials:

4-oxo-4,5,6,7-tetrahydrobenzofuran

2-(2-furyl)cyclobutanol

3,5,6,7,8,8a-Hexahydro-benzo[c][1,2]dioxin-5-ol

1,3-cylohexanedione

Downstream raw materials:

4-benzyloxy-4,5,6,7-tetrahydrobenzofuran

4-ethoxy-4,5,6,7-tetrahydrobenzofuran

[2-Hydroxy-6-oxo-cyclohex-(Z)-ylidene]-acetic acid methyl ester

C₂₁H₂₀O₃