Ethyl 2-(4-bromo-2-formyl-6-methoxyphenoxy)acetate

Base Information

• Chemical Name: Ethyl 2-(4-bromo-2-formyl-6-methoxyphenoxy)acetate
• CAS No.: 20037-36-9
• Molecular Formula: C12H13 Br O5
• Molecular Weight: 317.13
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID90363070
• Wikidata: Q82146625
• ChEMBL ID: CHEMBL1526673
• Mol file: 20037-36-9.mol

Synonyms:20037-36-9;ethyl 2-(4-bromo-2-formyl-6-methoxyphenoxy)acetate;ethyl (4-bromo-2-formyl-6-methoxyphenoxy)acetate;MLS000543041;Oprea1_307440;CHEMBL1526673;DTXSID90363070;(4-Bromo-2-formyl-6-methoxy-phenoxy)acetic acid ethyl ester;HMS2391I07;BBL025661;MFCD00127396;STL368275;AKOS005090964;SMR000169010;BB 0218742;CS-0328377;4B-028;A1-03947;(4-bromo-2-formyl-6-methoxyphenoxy)acetic acid ethyl ester;ETHYL2-(4-BROMO-2-FORMYL-6-METHOXYPHENOXY)ACETATE;(4-BROMO-2-FORMYL-6-METHOXY-PHENOXY)-ACETICACIDETHYLESTER

Chemical Property of Ethyl 2-(4-bromo-2-formyl-6-methoxyphenoxy)acetate

Chemical Property:

• Vapor Pressure: 2.48E-06mmHg at 25°C
• Boiling Point: 391.3°C at 760 mmHg
• Flash Point: 190.5°C
• PSA: 61.83000
• Density: 1.452g/cm³
• LogP: 2.21210
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 315.99464
• Heavy Atom Count: 18
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 2-(4-bromo-2-formyl-6-methoxyphenoxy)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)COC1=C(C=C(C=C1OC)Br)C=O

Technology Process of Ethyl 2-(4-bromo-2-formyl-6-methoxyphenoxy)acetate

There total 2 articles about Ethyl 2-(4-bromo-2-formyl-6-methoxyphenoxy)acetate 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: 91.0%

5-bromo-3-methoxysalicylaldehyde (5034-74-2) + ethyl bromoacetate (105-36-2) → ethyl 2-(4-bromo-2-formyl-6-methoxyphenoxy)acetate (20037-36-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 3.5h;

DOI:10.1021/acs.jmedchem.5b00567

Reference yield:

→ ethyl 2-(4-bromo-2-formyl-6-methoxyphenoxy)acetate (20037-36-9)

Guidance literature:

5-Brom-2-hydroxy-3-methoxy-benzaldehyd, Bromessigsaeure-aethylester;

Reference yield: 84.0%

ethyl 2-(4-bromo-2-formyl-6-methoxyphenoxy)acetate (20037-36-9) + benzo[b]thiophen-3-yl-3-boronic acid (113893-08-6) → ethyl 2-(4-(benzo[b]thiophen-3-yl)-2-formyl-6-methoxyphenoxy)acetate

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium carbonate; In N,N-dimethyl-formamide; at 70 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.5b00567

upstream raw materials:

5-bromo-3-methoxysalicylaldehyde

ethyl bromoacetate

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