Ethyl 2-(bromomethyl)-3,4-dimethoxybenzoate

Base Information

• Chemical Name: Ethyl 2-(bromomethyl)-3,4-dimethoxybenzoate
• CAS No.: 15365-27-2
• Molecular Formula: C₁₂H₁₅BrO₄
• Molecular Weight: 303.153
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID701263220
• Mol file: 15365-27-2.mol

Synonyms:Ethyl 2-(bromomethyl)-3,4-dimethoxybenzoate;15365-27-2;SCHEMBL7439413;DTXSID701263220;Ethyl2-(bromomethyl)-3,4-dimethoxybenzoate

Chemical Property of Ethyl 2-(bromomethyl)-3,4-dimethoxybenzoate

Chemical Property:

• PSA: 44.76000
• LogP: 2.77540
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 302.01537
• Heavy Atom Count: 17
• Complexity: 247

Purity/Quality:

≥99% ^*data from raw suppliers

Ethyl2-(bromomethyl)-3,4-dimethoxybenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=C(C=C1)OC)OC)CBr

Technology Process of Ethyl 2-(bromomethyl)-3,4-dimethoxybenzoate

There total 5 articles about Ethyl 2-(bromomethyl)-3,4-dimethoxybenzoate 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:

Ethyl 3,4-dimethoxy-2-methyl benzoate (15364-84-8) → Ethyl 2-bromomethyl-3,4-dimethoxybenzoate (15365-27-2)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane;

DOI:10.1021/jo01266a004

Reference yield:

2-methyl-3,4-dimethoxybenzoic acid (5722-94-1) → Ethyl 2-bromomethyl-3,4-dimethoxybenzoate (15365-27-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄

2: NBS, (PhCO)2O₂ / CCl₄

With N-Bromosuccinimide; sulfuric acid; dibenzoyl peroxide; In tetrachloromethane;

DOI:10.1021/jo01266a004

Reference yield:

2-methyl-3,4-dimethoxybenzaldehyde (51234-09-4) → Ethyl 2-bromomethyl-3,4-dimethoxybenzoate (15365-27-2)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. KMnO₄ / acetone

2: H₂SO₄

3: NBS, (PhCO)2O₂ / CCl₄

With potassium permanganate; N-Bromosuccinimide; sulfuric acid; dibenzoyl peroxide; In tetrachloromethane; acetone;

DOI:10.1021/jo01266a004

upstream raw materials:

Ethyl 3,4-dimethoxy-2-methyl benzoate

1,2-dimethoxy-3-methylbenzene

2-methyl-3,4-dimethoxybenzoic acid

2-methyl-3,4-dimethoxybenzaldehyde

Downstream raw materials:

N-Benzyl-N-(2-carbaethoxy-5,6-dimethoxybenzyl)-glycinaethylester