4-Tetrahydropyranoxy-2-hydroxybenzaldehyde

Base Information

• Chemical Name: 4-Tetrahydropyranoxy-2-hydroxybenzaldehyde
• CAS No.: 72041-59-9
• Molecular Formula: C12H14O4
• Molecular Weight: 222.241
• Hs Code.: 2932999099
• European Community (EC) Number: 812-445-5
• DSSTox Substance ID: DTXSID70393698
• Mol file: 72041-59-9.mol

Synonyms:72041-59-9;4-Tetrahydropyranoxy-2-hydroxybenzaldehyde;2-Hydroxy-4-((tetrahydro-2H-pyran-2-yl)oxy)benzaldehyde;2-hydroxy-4-(oxan-2-yloxy)benzaldehyde;SCHEMBL1134318;2-hydroxy-4-(tetrahydro-2H-pyran-2-yloxy)benzaldehyde;DTXSID70393698;NDAHKJIBTIDZIO-UHFFFAOYSA-N;Benzaldehyde,2-hydroxy-4-[(tetrahydro-2H-pyran-2-yl)oxy]-;MFCD02181129;AKOS015917468;2-Hydroxy-4-[(oxan-2-yl)oxy]benzaldehyde;FT-0641389;E87715;2-hydroxy-4-(tetrahydro-pyran-2-yloxy)-benzaldehyde

Chemical Property of 4-Tetrahydropyranoxy-2-hydroxybenzaldehyde

Chemical Property:

• Vapor Pressure: 2.19E-06mmHg at 25°C
• Refractive Index: 1.588
• Boiling Point: 382.2 °C at 760 mmHg
• Flash Point: 148.6 °C
• PSA: 55.76000
• Density: 1.255 g/cm³
• LogP: 2.11010
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 231

Purity/Quality:

98%min ^*data from raw suppliers

2-Hydroxy-4-((tetrahydro-2H-pyran-2-yl)oxy)benzaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCOC(C1)OC2=CC(=C(C=C2)C=O)O

Technology Process of 4-Tetrahydropyranoxy-2-hydroxybenzaldehyde

There total 4 articles about 4-Tetrahydropyranoxy-2-hydroxybenzaldehyde 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%

3,4-dihydro-2H-pyran (110-87-2) + 2,4-Dihydroxybenzaldehyde (95-01-2) → 2-hydroxy-4-[(tetrahydro-2H-pyran-2-yl)oxy]benzaldehyde (72041-59-9)

Guidance literature:

With pyridinium p-toluenesulfonate; In dichloromethane; at 25 ℃; for 3h;

DOI:10.1021/ja002033k

Reference yield:

3,4-dihydro-2H-pyran (110-87-2) + pyridinium p-toluenesulfonate (24057-28-1) + 2,4-Dihydroxybenzaldehyde (95-01-2) → 2-hydroxy-4-[(tetrahydro-2H-pyran-2-yl)oxy]benzaldehyde (72041-59-9)

Guidance literature:

In dichloromethane;

Reference yield:

3,4-dihydro-2H-pyran (110-87-2) + 2,4-Dihydroxybenzaldehyde (95-01-2) → 4-hydroxy-2-[(tetrahydro-2H-pyran-2-yl)oxy]benzaldehyde + 2-hydroxy-4-[(tetrahydro-2H-pyran-2-yl)oxy]benzaldehyde (72041-59-9)

Guidance literature:

With pyridinium p-toluenesulfonate; In dichloromethane; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1055/s-0030-1259300

upstream raw materials:

TETRAHYDROPYRANE

2,4-Dihydroxybenzaldehyde

3,4-dihydro-2H-pyran

pyridinium p-toluenesulfonate

Downstream raw materials:

7-hydroxy-2H-chromene-3-carbaldehyde

Refernces

• 1、 Aya, Satoshi,Cen, Fangjie,Dai, Shuqi,Huang, Houbing,Huang, Mingjun,Jiang, Yuanbin,Kougo, Junichi,Lei, Huanyu,Li, Jinxing,Xia, Runli,Xu, Hao,Yang, Jidan,Zhang, Guangzu,Zhang, Xinxin. "How Far Can We Push the Rigid Oligomers/Polymers toward Ferroelectric Nematic Liquid Crystals?". supporting information. p. 17857 - 17861. Retrieved 2021/11/04.
• 2、 Kawashita, Seiji,Aoyagi, Koichi,Yamanaka, Hiroshi,Hantani, Rie,Naruoka, Shiori,Tanimoto, Atsuo,Hori, Yuji,Toyonaga, Yukiyo,Fukushima, Kyoko,Miyazaki, Susumu,Hantani, Yoshiji. "Symmetry-based ligand design and evaluation of small molecule inhibitors of programmed cell death-1/programmed death-ligand 1 interaction". supporting information. p. 2464 - 2467. Retrieved 2019/08/20.