Phenol, 2-ethenyl-5-methoxy-(9CI)

Base Information

• Chemical Name: Phenol, 2-ethenyl-5-methoxy-(9CI)
• CAS No.: 522592-59-2
• Molecular Formula: C9H10O2
• Molecular Weight: 150.177
• DSSTox Substance ID: DTXSID70460071
• Nikkaji Number: J1.852.200D
• Wikidata: Q82283983
• Mol file: 522592-59-2.mol

Synonyms:2-ETHENYL-5-METHOXYPHENOL;522592-59-2;Phenol, 2-ethenyl-5-methoxy- (9CI);SCHEMBL16475652;DTXSID70460071;EN300-1849855

Chemical Property of Phenol, 2-ethenyl-5-methoxy-(9CI)

Chemical Property:

• Melting Point: 62-64 °C
• Boiling Point: 284.4±20.0 °C(Predicted)
• PKA: 9.38±0.40(Predicted)
• PSA: 29.46000
• Density: 1.089±0.06 g/cm3(Predicted)
• LogP: 2.04380
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C=C)O

Technology Process of Phenol, 2-ethenyl-5-methoxy-(9CI)

There total 3 articles about Phenol, 2-ethenyl-5-methoxy-(9CI) 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: 99.0%

2-Hydroxy-4-methoxybenzaldehyde (673-22-3) + methyl-triphenylphosphonium iodide (2065-66-9) → 2-hydroxy-4-methoxy-styrene (522592-59-2)

Guidance literature:

methyl-triphenylphosphonium iodide; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 2h;

2-Hydroxy-4-methoxybenzaldehyde; In tetrahydrofuran; hexane; at -78 ℃;

DOI:10.1080/00397910600638937

Reference yield: 92.0%

2-Hydroxy-4-methoxybenzaldehyde (673-22-3) + Methyltriphenylphosphonium bromide (1779-49-3) → 2-hydroxy-4-methoxy-styrene (522592-59-2)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 30 ℃; Inert atmosphere;

DOI:10.1021/ja410538w

Reference yield:

O-methylresorcine (150-19-6) + acetylene (74-86-2,25067-58-7) → 2-hydroxy-4-methoxy-styrene (522592-59-2) + methoxy vinylphenol

Guidance literature:

With tributyl-amine; tin(IV) chloride; potassium carbonate; Multistep reaction; 1) C₆H₅Cl, 2) C₆H₅Cl, 60 deg C, 30 min, 3) MeOH, reflux, 30 min;

DOI:10.1021/jo980785f

upstream raw materials:

O-methylresorcine

acetylene

2-Hydroxy-4-methoxybenzaldehyde

methyl-triphenylphosphonium iodide

Downstream raw materials:

(S)-2-[(R)-1-(5-Methoxy-2-vinyl-phenoxy)-hexyl]-oxirane

(S)-2-[(R)-(5-Methoxy-2-vinyl-phenoxy)-phenyl-methyl]-oxirane

acrylic acid 5-methoxy-2-vinyl-phenyl ester

7-methoxycoumarin