Benzyl 2-benzyloxy-5-formylbenzoate

Base Information

• Chemical Name: Benzyl 2-benzyloxy-5-formylbenzoate
• CAS No.: 150258-60-9
• Molecular Formula: C22H18 O4
• Molecular Weight: 346.383
• DSSTox Substance ID: DTXSID70439424
• Wikidata: Q82255377
• Mol file: 150258-60-9.mol

Synonyms:150258-60-9;BENZYL 2-BENZYLOXY-5-FORMYLBENZOATE;benzyl 2-(benzyloxy)-5-formylbenzoate;benzyl 5-formyl-2-phenylmethoxybenzoate;5-Formyl-2-(phenylmethoxy)-benzoic acid phenylmethyl ester;Benzoic acid, 5-formyl-2-(phenylmethoxy)-, phenylmethyl ester;Phenylmethyl 5-formyl-2-[(phenylmethyl)oxy]benzoate;SCHEMBL1315281;5-Formyl-2-(phenylmethoxy)benzoic Acid Phenylmethyl Ester;DTXSID70439424;OCJAGRYUKAWYQD-UHFFFAOYSA-N;AKOS015960867;AC-12435;FT-0662695;2-Benzyloxy-5-formylbenzoic acid benzyl ester;(1S,2S)-(-)-N,N-DIMETHYL-1,2-DIPHENYL-1,2-ETHANEDIAMINE

Chemical Property of Benzyl 2-benzyloxy-5-formylbenzoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 82-83°C
• Refractive Index: 1.624
• Boiling Point: 533.1°Cat760mmHg
• Flash Point: 234.2°C
• PSA: 52.60000
• Density: 1.217g/cm³
• LogP: 4.43510
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 346.12050905
• Heavy Atom Count: 26
• Complexity: 437

Purity/Quality:

98% ^*data from raw suppliers

Benzyl2-Benzyloxy-5-formylbenzoate ^*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=C(C=C2)C=O)C(=O)OCC3=CC=CC=C3

Technology Process of Benzyl 2-benzyloxy-5-formylbenzoate

There total 2 articles about Benzyl 2-benzyloxy-5-formylbenzoate 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-5-formylbenzoic acid (616-76-2) + benzyl bromide (100-39-0) → benzyl 5-formyl-2-(benzyloxy)benzoate (150258-60-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 16h;

DOI:10.1021/jm00072a022

Reference yield: 34.0%

2-hydroxy-5-formylbenzoic acid (616-76-2) + benzyl bromide (100-39-0) → benzyl 5-formyl-2-(benzyloxy)benzoate (150258-60-9) + benzyl 2-hydroxy-5-formylbenzoate (176047-66-8)

Guidance literature:

With potassium hydrogencarbonate; In DMF (N,N-dimethyl-formamide); at 20 ℃;

Reference yield: 76.7%

benzyl 5-formyl-2-(benzyloxy)benzoate (150258-60-9) → 2-benzyloxy-5-cyanobenzoic acid benzyl ester (179256-31-6)

Guidance literature:

With hydroxylamine hydrochloride; In 1-methyl-pyrrolidin-2-one; at 115 ℃; for 4h;

upstream raw materials:

2-hydroxy-5-formylbenzoic acid

benzyl bromide

Downstream raw materials:

(E)-1-[3'-(4''-carboxybenzamido)-4'-benzyloxy]phenyl-2-(3''',5'''-dibenzyloxy)phenylethene

(E)-1-[3'-(4''-t-butylbenzoyl)benzamido-4'-benzyloxy]phenyl-2-(3''',5'''-dibenzyloxy)phenylethene

1-(3'-carboxy-4'-hydroxyphenyl)-2-(3'',4''-dimethoxyphenyl)ethane

trans-1-(3'-carboxy-4'-(benzyloxy)phenyl)-2-(3'',4''-dimethoxyphenyl)ethene

Refernces

• 1、 -. "N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF". Page/Page column 33. . Retrieved 2011/11/13.
• 2、 -. "NF-KB ACTIVATION INHIBITORS". Page/Page column 73. . Retrieved 2008/06/13.