4-[(4-Fluorobenzyl)oxy]-3-methoxybenzaldehyde

Base Information

• Chemical Name: 4-[(4-Fluorobenzyl)oxy]-3-methoxybenzaldehyde
• CAS No.: 321432-05-7
• Molecular Formula: C15H13 F O3
• Molecular Weight: 260.265
• Hs Code.: 2913000090
• European Community (EC) Number: 671-570-1
• DSSTox Substance ID: DTXSID70353257
• Wikidata: Q82130733
• Mol file: 321432-05-7.mol

Synonyms:321432-05-7;4-[(4-fluorobenzyl)oxy]-3-methoxybenzaldehyde;4-[(4-fluorobenzyl)oxy]-3-methoxybenzenecarbaldehyde;4-[(4-fluorophenyl)methoxy]-3-methoxybenzaldehyde;4-((4-fluorobenzyl)oxy)-3-methoxybenzaldehyde;4-(4-Fluoro-benzyloxy)-3-methoxy-benzaldehyde;4-[(4-fluorobenzyl)oxy]-3-methoxybenzenecarboxaldehyde;4-(4-fluorobenzyloxy)-3-methoxybenzaldehyde;Boc-Tyr-Leu-OBzl;Cambridge id 7188222;Oprea1_599954;Oprea1_817897;SCHEMBL1353565;DTXSID70353257;BBL016406;MFCD00202628;STK200414;AKOS000115367;BB 0217677;CS-0116529;EN300-01066;1H-913;E78474;J-018653;J-513163;Benzaldehyde, 4-[(4-fluorophenyl)methoxy]-3-methoxy-;Z26337258;4-[(4-Fluorobenzyl)oxy]-3-methoxybenzene-carboxaldehyde

Chemical Property of 4-[(4-Fluorobenzyl)oxy]-3-methoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 1.59E-06mmHg at 25°C
• Melting Point: 80-82°C
• Refractive Index: 1.576
• Boiling Point: 397.4°C at 760 mmHg
• Flash Point: 187.4°C
• PSA: 35.53000
• Density: 1.216g/cm³
• LogP: 3.22580
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 260.08487243
• Heavy Atom Count: 19
• Complexity: 277

Purity/Quality:

98%min ^*data from raw suppliers

4-[(4-Fluorobenzyl)oxy]-3-methoxybenzaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C=O)OCC2=CC=C(C=C2)F

Technology Process of 4-[(4-Fluorobenzyl)oxy]-3-methoxybenzaldehyde

There total 4 articles about 4-[(4-Fluorobenzyl)oxy]-3-methoxybenzaldehyde 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: 96.3%

vanillin (121-33-5,8014-42-4) + 4-Fluorobenzyl bromide (459-46-1) → 4-((4-fluorobenzyl)oxy)-3-methoxybenzaldehyde (321432-05-7)

Guidance literature:

With potassium carbonate; In acetone; Reflux; Inert atmosphere;

DOI:10.1016/j.bmcl.2014.10.092

Reference yield: 58.8%

4-fluorobenzylic alcohol (459-56-3) + vanillin (121-33-5,8014-42-4) → 4-((4-fluorobenzyl)oxy)-3-methoxybenzaldehyde (321432-05-7)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 0 ℃; for 19h; Reflux; Inert atmosphere;

DOI:10.1016/j.bmcl.2014.09.015

Reference yield:

vanillin (121-33-5,8014-42-4) + 1-chloromethyl-4-fluorobenzene (352-11-4) → 4-((4-fluorobenzyl)oxy)-3-methoxybenzaldehyde (321432-05-7)

Guidance literature:

With potassium carbonate; potassium iodide; In acetone; Reflux;

DOI:10.1016/j.ejmech.2017.02.032

upstream raw materials:

4-fluorobenzylic alcohol

vanillin

4-Fluorobenzyl bromide

1-chloromethyl-4-fluorobenzene

Downstream raw materials:

N-(4-(4-fluorobenzyloxy)-3-methoxybenzyl)-1-(pyridin-4-yl)methanamine

C₁₅H₁₄ClFO₂

Refernces

• 1、 Liu, Dengyue,Zhang, Jian,Zhao, Lei,He, Wengjing,Liu, Zhengjun,Gan, Xiuhai,Song, Baoan. "First Discovery of Novel Pyrido[1,2- a]pyrimidinone Mesoionic Compounds as Antibacterial Agents". . . Retrieved 2019/10/21.
• 2、 Zhang, Jian,Zhao, Lei,Zhu, Chun,Wu, Zengxue,Zhang, Guoping,Gan, Xiuhai,Liu, Dengyue,Pan, Jianke,Hu, Deyu,Song, Baoan. "Facile Synthesis of Novel Vanillin Derivatives Incorporating a Bis(2-hydroxyethyl)dithhioacetal Moiety as Antiviral Agents". . p. 4582 - 4588. Retrieved 2017/06/20.