2-(Benzyloxy)-5-bromobenzaldehyde

Base Information

• Chemical Name: 2-(Benzyloxy)-5-bromobenzaldehyde
• CAS No.: 121124-94-5
• Molecular Formula: C14H11BrO2
• Molecular Weight: 291.144
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID00352692
• Nikkaji Number: J1.863.216K
• Wikidata: Q72441805
• Mol file: 121124-94-5.mol

Synonyms:2-(benzyloxy)-5-bromobenzaldehyde;121124-94-5;5-bromo-2-phenylmethoxybenzaldehyde;2-Benzyloxy-5-bromobenzaldehyde;5-bromo-2-(phenylmethoxy)benzaldehyde;MFCD00046154;2-benzyloxy-5-bromo-benzaldehyde;SCHEMBL82269;5-Bromo-2-benzyloxybenzaldehyde;5-bromo-2-benzyloxy-benzaldehyde;DTXSID00352692;LXYOEDGDQBDZFK-UHFFFAOYSA-N;BBL015530;STK044969;AKOS000271081;2-(Benzyloxy)-5-bromobenzenecarbaldehyde;AS-48213;CS-0116526;FT-0744955;EN300-07670;F19789;A891946;Z26356298

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

Chemical Property:

• Vapor Pressure: 8.86E-07mmHg at 25°C
• Melting Point: 73-74 °C
• Refractive Index: 1.629
• Boiling Point: 405.3 °C at 760 mmHg
• Flash Point: 198.9 °C
• PSA: 26.30000
• Density: 1.441 g/cm³
• 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%,99%, ^*data from raw suppliers

2-(Benzyloxy)-5-bromobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 8 articles about 2-(Benzyloxy)-5-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: 100.0%

benzyl bromide (100-39-0) + 5-bromosalicyclaldehyde (1761-61-1) → 2-benzyloxy-5-bromobenzaldehyde (121124-94-5)

Guidance literature:

5-bromosalicyclaldehyde; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

benzyl bromide; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

DOI:10.1016/S0040-4020(01)00102-8

Reference yield: 99.0%

benzyl chloride (100-44-7) + 5-bromosalicyclaldehyde (1761-61-1) → 2-benzyloxy-5-bromobenzaldehyde (121124-94-5)

Guidance literature:

5-bromosalicyclaldehyde; With sodium carbonate; sodium iodide; In ethanol; water; at 22 ℃; for 3h; Inert atmosphere; Reflux; Large scale reaction;

benzyl chloride; In ethanol; water; Inert atmosphere;

DOI:10.1021/op200207h

Reference yield: 96.0%

→ 2-benzyloxy-5-bromobenzaldehyde (121124-94-5)

Guidance literature:

With potassium phosphate; In acetone; for 8h;

upstream raw materials:

2-(phenylmethoxy)benzaldehyde

benzyl chloride

5-bromosalicyclaldehyde

bromine

Downstream raw materials:

C₁₅H₁₅BrN₄O

methyl 3-(2-benzyloxy-3-bromophenyl)-3-hydroxy-2-methylenepropanoate

(Z)-5-(2-benzyloxy-5-bromobenzylidene)-2-thioxo-thiazolidin-4-one

[2-(Benzyloxy)-5-bromophenyl]methanol

Refernces

• 1、 Hosten, Eric C.,Hulushe, Siya T.,Louzada, Marcel,Manyeruke, Meloddy H.,Rigin, Sergei,Watkins, Gareth M.. "Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses". . p. 16861 - 16874. Retrieved 2020.
• 2、 Joo, Seong-Ryu,Kim, Seung-Hoi,Kwon, Gyu-Tae,Park, Soo-Youl. "Choline Hydroxide as a Versatile Medium for Catalyst-Free O-Functionalization of Phenols". . p. 1200 - 1205. Retrieved 2020/11/30.