Methyl 2,3-dibromo-3-(3,4,5-trimethoxyphenyl)propanoate

Base Information

• Chemical Name: Methyl 2,3-dibromo-3-(3,4,5-trimethoxyphenyl)propanoate
• CAS No.: 92020-64-9
• Molecular Formula: C₁₃H₁₆Br₂O₅
• Molecular Weight: 412.075
• NSC Number: 113038
• DSSTox Substance ID: DTXSID50296991
• Mol file: 92020-64-9.mol

Synonyms:92020-64-9;methyl 2,3-dibromo-3-(3,4,5-trimethoxyphenyl)propanoate;NSC113038;DTXSID50296991;NSC-113038

Chemical Property of Methyl 2,3-dibromo-3-(3,4,5-trimethoxyphenyl)propanoate

Chemical Property:

• Vapor Pressure: 1.16E-06mmHg at 25°C
• Boiling Point: 401.7°Cat760mmHg
• Flash Point: 196.7°C
• Density: 1.595g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 411.93440
• Heavy Atom Count: 20
• Complexity: 301

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2,3-dibromo-3-(3,4,5-trimethoxyphenyl)propanoate

There total 3 articles about Methyl 2,3-dibromo-3-(3,4,5-trimethoxyphenyl)propanoate 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:

methyl 3,4,5-trimethoxycinnamate (20329-96-8) → 2,3-Dibrom-3-<3,4,5-trimethoxy-phenyl>-propionsaeure-methylester (92020-64-9)

Guidance literature:

With bromine; In chloroform;

DOI:10.1016/S0040-4020(01)98419-4

Reference yield:

methanol (67-56-1) + (E)-3,4,5-trimethoxy-cinnamic acid (20329-98-0,20329-99-1,90-50-6) → 2,3-Dibrom-3-<3,4,5-trimethoxy-phenyl>-propionsaeure-methylester (92020-64-9)

Guidance literature:

With bromine; Yield given. Multistep reaction; 1.) ref.; 2.) CHCl₃;

DOI:10.1016/S0040-4039(00)73719-1

Reference yield:

→ 2,3-Dibrom-3-<3,4,5-trimethoxy-phenyl>-propionsaeure-methylester (92020-64-9)

Guidance literature:

III, Br2, Chlf.;

DOI:10.1016/S0040-4039(01)90810-X

upstream raw materials:

methanol

(E)-3,4,5-trimethoxy-cinnamic acid

methyl 3,4,5-trimethoxycinnamate

Downstream raw materials:

3-(3,4,5-trimethoxyphenyl)propiolic acid

(Z)-3-(3,4,5-Trimethoxy-phenyl)-acrylic acid (E)-3-(1-benzenesulfonyl-1H-indol-2-yl)-allyl ester

(3,4,5-Trimethoxy-phenyl)-propynoic acid (E)-3-(1-benzenesulfonyl-1H-indol-2-yl)-allyl ester

(Z)3,4,5-trimethoxycinnamic acid