5-(Benzyloxy)-2-bromobenzaldehyde

Base Information

• Chemical Name: 5-(Benzyloxy)-2-bromobenzaldehyde
• CAS No.: 85604-06-4
• Molecular Formula: C14H11BrO2
• Molecular Weight: 291.144
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID90446579
• Nikkaji Number: J1.200.133I
• Wikidata: Q82265282
• Mol file: 85604-06-4.mol

Synonyms:5-(Benzyloxy)-2-bromobenzaldehyde;85604-06-4;5-Bezyloxy-2-bromobenzaldehyde;5-benzyloxy-2-bromobenzaldehyde;2-bromo-5-phenylmethoxybenzaldehyde;SCHEMBL1588758;5-benzyloxy-2-bromo-benzaldehyde;DTXSID90446579;NUBOCIQJROMWLP-UHFFFAOYSA-N;2-Bromo-5-(benzyloxy)benzaldehyde;MFCD03425931;AKOS005067663;AS-19893;FT-0765010;EN300-1184386;A863522;Z1460319982

Chemical Property of 5-(Benzyloxy)-2-bromobenzaldehyde

Chemical Property:

• PSA: 26.30000
• LogP: 3.84060
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 289.99424
• Heavy Atom Count: 17
• Complexity: 238

Purity/Quality:

98% ^*data from raw suppliers

5-(Benzyloxy)-2-bromobenzaldehyde ^*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=CC(=C(C=C2)Br)C=O

Technology Process of 5-(Benzyloxy)-2-bromobenzaldehyde

There total 10 articles about 5-(Benzyloxy)-2-bromobenzaldehyde 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-bromo-5-hydroxybenzaldehyde (2973-80-0) + benzyl bromide (100-39-0) → 5-(benzyloxy)-2-bromobenzaldehyde (85604-06-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.5012/bkcs.2010.31.7.2047

Reference yield: 98.0%

2-bromo-5-hydroxybenzaldehyde (2973-80-0) + benzyl chloride (100-44-7) → 5-(benzyloxy)-2-bromobenzaldehyde (85604-06-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 2h;

DOI:10.1021/np800226n

Reference yield: 91.5%

→ 5-(benzyloxy)-2-bromobenzaldehyde (85604-06-4)

Guidance literature:

With potassium carbonate; In acetonitrile; at 60 ℃;

In acetonitrile; at 60 ℃; for 6h;

upstream raw materials:

2-bromo-5-hydroxybenzaldehyde

benzyl chloride

benzyl bromide

3-Benzyloxybenzaldehyde

Downstream raw materials:

2-(5'-benzyloxy-2'-bromophenyl)-1,3-dioxolan

4-{4-[(E)-2-(4-Benzyloxy-2-bromo-5-methoxy-phenyl)-vinyl]-phenoxy}-6-[(E)-2-(5-benzyloxy-2-bromo-phenyl)-vinyl]-2,2-diphenyl-benzo[1,3]dioxole

C₄₃H₃₄Br₂O₄

3-(5-(benzyloxy)-2-bromophenyl)-2-cyanoacrylic acid

Refernces

• 1、 Newman, Hector,Krajnc, Alen,Bellini, Dom,Eyermann, Charles J.,Boyle, Grant A.,Paterson, Neil G.,McAuley, Katherine E.,Lesniak, Robert,Gangar, Mukesh,Von Delft, Frank,Brem, Jürgen,Chibale, Kelly,Schofield, Christopher J.,Dowson, Christopher G.. "High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- And Tricovalent Binding Modes". . p. 11379 - 11394. Retrieved 2021.
• 2、 -. "Preparation method of aporphine alkaloid". Paragraph 0055-0058; 0100-0102. . Retrieved 2021/06/09.