3-(Benzyloxy)-4-fluorobenzaldehyde

Base Information

• Chemical Name: 3-(Benzyloxy)-4-fluorobenzaldehyde
• CAS No.: 103438-91-1
• Molecular Formula: C14H11FO2
• Molecular Weight: 230.239
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID00340074
• Wikidata: Q82109525
• Mol file: 103438-91-1.mol

Synonyms:3-(Benzyloxy)-4-fluorobenzaldehyde;103438-91-1;3-benzyloxy-4-fluorobenzaldehyde;4-fluoro-3-phenylmethoxybenzaldehyde;SCHEMBL2461447;DTXSID00340074;Benzaldehyde, 3-benzyloxy-4-fluoro-;MFCD11110161;3-(Benzyloxy)-4-fluorobenzaldehyde #;AKOS022181363;3-benzyloxy-4-fluorobenzaldehyde, AldrichCPR;CS-0195453;E90414;A896464

Chemical Property of 3-(Benzyloxy)-4-fluorobenzaldehyde

Chemical Property:

• PSA: 26.30000
• LogP: 3.21720
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 230.07430775
• Heavy Atom Count: 17
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

3-(Benzyloxy)-4-fluorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=C(C=CC(=C2)C=O)F

Technology Process of 3-(Benzyloxy)-4-fluorobenzaldehyde

There total 9 articles about 3-(Benzyloxy)-4-fluorobenzaldehyde 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: 74.0%

benzyl bromide (100-39-0) + 4-fluoro-3-hydroxybenzaldehyde (103438-85-3) → 3-benzyloxy-4-fluorobenzaldehyde (103438-91-1)

Guidance literature:

With potassium carbonate; In acetone; Ambient temperature;

DOI:10.1021/jm00160a030

Reference yield: 67.0%

benzyl chloride (100-44-7) + 4-fluoro-3-hydroxybenzaldehyde (103438-85-3) → 3-benzyloxy-4-fluorobenzaldehyde (103438-91-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 3h;

DOI:10.1016/S0968-0896(00)00286-8

Reference yield:

3-benzyloxy-4-fluorobenzyl alcohol (959251-11-7) → 3-benzyloxy-4-fluorobenzaldehyde (103438-91-1)

Guidance literature:

3-benzyloxy-4-fluorobenzyl alcohol; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -76 ℃; for 1.5h;

With triethylamine; In dichloromethane; at 20 ℃;

upstream raw materials:

benzyl bromide

4-fluoro-3-hydroxybenzaldehyde

benzyl chloride

4-fluoro-3-methoxybenzaldehyde

Downstream raw materials:

4-fluorophenylephrine

1-(3-Benzyloxy-4-fluoro-phenyl)-2-methylamino-ethanol

N-[2-(3-Benzyloxy-4-fluoro-phenyl)-2-hydroxy-ethyl]-formamide

1-(3-(benzyloxy)-4-fluorobenzyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)piperazine

Refernces

• 1、 -. "Sanglifehrin Derivatives and Methods for Their Production". Paragraph 0152. . Retrieved 2014/04/03.
• 2、 -. "NOVEL DOSAGE FORM". Page/Page column 62. . Retrieved 2013/05/21.