2-(Benzyloxy)-3-bromobenzaldehyde

Base Information

• Chemical Name: 2-(Benzyloxy)-3-bromobenzaldehyde
• CAS No.: 120980-85-0
• Molecular Formula: C14H11BrO2
• Molecular Weight: 291.144
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID50702800
• Wikidata: Q82634803
• Mol file: 120980-85-0.mol

Synonyms:2-(Benzyloxy)-3-bromobenzaldehyde;120980-85-0;3-bromo-2-phenylmethoxybenzaldehyde;2-BENZYLOXY-3-BROMOBENZALDEHYDE;2-benzyloxy-3-bromo-benzaldehyde;SCHEMBL1639023;DTXSID50702800;WXCPOOYYSDHTPQ-UHFFFAOYSA-N;MFCD09999237;AKOS010650020;AS-60450;CS-0094246;A1-00660

Chemical Property of 2-(Benzyloxy)-3-bromobenzaldehyde

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 399.774°C at 760 mmHg
• Flash Point: 195.577°C
• PSA: 26.30000
• Density: 1.441g/cm³
• LogP: 3.84060
• Storage Temp.: 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

2-(Benzyloxy)-3-bromobenzaldehyde 95+% ^*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=C2Br)C=O

Technology Process of 2-(Benzyloxy)-3-bromobenzaldehyde

There total 3 articles about 2-(Benzyloxy)-3-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: 95.0%

2-hydroxy-3-bromobenzaldehyde (1829-34-1) + benzyl bromide (100-39-0) → 2-(benzyloxy)-3-bromobenzaldehyde (120980-85-0)

Guidance literature:

With potassium carbonate;

DOI:10.1016/j.bmcl.2006.03.049

Reference yield: 83.0%

2-benzyloxy-1-bromo-3-((E)-propenyl)-benzene (913630-45-2) → 2-(benzyloxy)-3-bromobenzaldehyde (120980-85-0)

Guidance literature:

2-benzyloxy-1-bromo-3-((E)-propenyl)-benzene; With ozone; In dichloromethane; at -78 ℃; for 2h;

With triphenylphosphine; In dichloromethane; at 20 ℃; for 12h;

Reference yield:

2-hydroxybromobenzene (95-56-7) → 2-(benzyloxy)-3-bromobenzaldehyde (120980-85-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / MgCl₂; TEA

2: 95 percent / K₂CO₃

With TEA; potassium carbonate; magnesium chloride;

DOI:10.1016/j.bmcl.2006.03.049

upstream raw materials:

2-hydroxy-3-bromobenzaldehyde

benzyl bromide

2-hydroxybromobenzene

2-benzyloxy-1-bromo-3-((E)-propenyl)-benzene

Downstream raw materials:

2'-benzyloxy-3'-ethynyl-biphenyl-3-carbonitrile

Refernces

• 1、 Riggs, Jennifer R.,Hu, Huiyong,Kolesnikov, Aleksandr,Leahy, Ellen M.,Wesson, Kieron E.,Shrader, William D.,Vijaykumar, Dange,Wahl, Troy A.,Tong, Zhiwei,Sprengeler, Paul A.,Green, Michael J.,Yu, Christine,Katz, Brad A.,Sanford, Ellen,Nguyen, Margaret,Cabuslay, Ronnel,Young, Wendy B.. "Novel 5-azaindole factor VIIa inhibitors". . p. 3197 - 3200. Retrieved 2007/10/03.