(E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enoate

Base Information

• Chemical Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enoate
• CAS No.: 195383-80-3
• Molecular Formula: C₁₁H₁₁BrO₄
• Molecular Weight: 287.11
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID30420631
• Wikidata: Q82231938
• Mol file: 195383-80-3.mol

Synonyms:(E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enoate;ZINC00153529;DTXSID30420631

Chemical Property of (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enoate

Chemical Property:

• Vapor Pressure: 1.94E-07mmHg at 25°C
• Melting Point: 253 °C
• Boiling Point: 409.5°Cat760mmHg
• Flash Point: 201.4°C
• Density: g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 284.97625
• Heavy Atom Count: 16
• Complexity: 261

Purity/Quality:

98%min ^*data from raw suppliers

2-Bromo-4,5-dimethoxycinnamicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1)C=CC(=O)[O-])Br)OC
• Isomeric SMILES: COC1=C(C=C(C(=C1)/C=C/C(=O)[O-])Br)OC

Technology Process of (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enoate

There total 1 articles about (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enoate 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: 75.0%

→ C11H11BrO4 (195383-80-3)

Guidance literature:

Reference yield:

C11H11BrO4 (195383-80-3) → C11H10BrClO3

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 0.2h;

DOI:10.1039/d1cc01437d

Reference yield:

C11H11BrO4 (195383-80-3) + Langlois reagent (2926-29-6) → (E)-1-bromo-4,5-dimethoxy-2-(3,3,3-trifluoroprop-1-en-1-yl)benzene

Guidance literature:

With tert.-butylhydroperoxide; silver carbonate; copper(l) chloride; In water; 1,2-dichloro-ethane; at 0 - 70 ℃; for 24h; Inert atmosphere;

DOI:10.1021/jacs.8b04902

Refernces