Benzene, 1,2,3-trimethoxy-4-(1-propenyl)-

Base Information

• Chemical Name: Benzene, 1,2,3-trimethoxy-4-(1-propenyl)-
• CAS No.: 81148-83-6
• Molecular Formula: C12H16 O3
• Molecular Weight: 0
• Nikkaji Number: J2.376.608F,J655.605A
• ChEMBL ID: CHEMBL120913
• Mol file: 81148-83-6.mol

Synonyms:Benzene, 1,2,3-trimethoxy-4-(1-propenyl)-;81148-83-6;CHEMBL120913;SCHEMBL14518617;1-(2,4,5-trimethoxy)phenyl-1-propene;1,2,3-Trimethoxy-4-(1-propenyl)benzene;(E)-1-(2,3,4-Trimethoxyphenyl)-1-propene

Chemical Property of Benzene, 1,2,3-trimethoxy-4-(1-propenyl)-

Chemical Property:

• Vapor Pressure: 0.00174mmHg at 25°C
• Boiling Point: 302.8°C at 760 mmHg
• Flash Point: 100.9°C
• PSA: 27.69000
• Density: 1.028g/cm³
• LogP: 2.74550
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC1=C(C(=C(C=C1)OC)OC)OC
• Isomeric SMILES: C/C=C/C1=C(C(=C(C=C1)OC)OC)OC

Technology Process of Benzene, 1,2,3-trimethoxy-4-(1-propenyl)-

There total 4 articles about Benzene, 1,2,3-trimethoxy-4-(1-propenyl)- 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: 87.0%

ethyltriphenylphosphonium bromide (1530-32-1) + 2,3,4-trimethoxybenzaldehyde (2103-57-3) → (E/Z)-2',3',4'-trimethoxy-1-propenylbenzene (81148-83-6)

Guidance literature:

ethyltriphenylphosphonium bromide; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 0.5h; Inert atmosphere;

2,3,4-trimethoxybenzaldehyde; In tetrahydrofuran; hexane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/jacs.8b08052

Reference yield:

ethyl triphenylphosphonium iodide (20667-20-3) + 2,3,4-trimethoxybenzaldehyde (2103-57-3) → (E/Z)-2',3',4'-trimethoxy-1-propenylbenzene (81148-83-6)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at -78 ℃;

DOI:10.1016/S0040-4020(01)87724-3

Reference yield:

2,3,4-trimethoxybenzaldehyde (2103-57-3) → (E/Z)-2',3',4'-trimethoxy-1-propenylbenzene (81148-83-6)

Guidance literature:

Yield given. Multistep reaction; 1) Et₂O, reflux, 30 min, 2) 170 deg C, 2 h;

DOI:10.1002/prac.199733901100

upstream raw materials:

ethyl triphenylphosphonium iodide

2,3,4-trimethoxybenzaldehyde

ethyltriphenylphosphonium bromide

Downstream raw materials:

1-(2',3',4'-trimethylphenyl)-1,2-epoxypropane

1-(2',3',4'-trimethoxyphenyl)-2-propanone

1-bromo-1-(2',3',4'-trimethoxyphenyl)propan-2-one

(5'-bromo-2',3',4'-trimethylphenyl)propan-2-one