4-(Bromomethyl)-1-methoxy-2-(3-methoxypropoxy)benzene

Base Information

• Chemical Name: 4-(Bromomethyl)-1-methoxy-2-(3-methoxypropoxy)benzene
• CAS No.: 172900-73-1
• Molecular Formula: C12H17BrO3
• Molecular Weight: 289.169
• DSSTox Substance ID: DTXSID60468586
• Nikkaji Number: J1.947.305H
• Wikidata: Q82295857
• Mol file: 172900-73-1.mol

Synonyms:172900-73-1;4-(bromomethyl)-1-methoxy-2-(3-methoxypropoxy)benzene;Benzene,4-(bromomethyl)-1-methoxy-2-(3-methoxypropoxy)-;SCHEMBL1039963;DTXSID60468586;QPFGFFCEZXPGLD-UHFFFAOYSA-N;AKOS010150065;AM20090746;FT-0645500;4-methoxy-3-(3-methoxypropoxy)-benzyl bromide;4-methoxy-3-(3-methoxy-propoxy)-benzyl bromide;4-methoxy-3-(3-methoxypropyloxy)-benzyl bromide;A811467;4-bromomethyl-1-methoxy-2-(3-methoxy-propoxy)benzene;4-Bromomethyl-1-methoxy-2-(3-methoxy-propoxy)-benzene;Benzene, 4-(bromomethyl)-1-methoxy-2-(3-methoxypropoxy)-

Chemical Property of 4-(Bromomethyl)-1-methoxy-2-(3-methoxypropoxy)benzene

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.522
• Boiling Point: 342.219 °C at 760 mmHg
• Flash Point: 139.2 °C
• PSA: 27.69000
• Density: 1.298g/cm³
• LogP: 3.00540
• Storage Temp.: 2-8°C
• Solubility.: Dichloromethane, Ethyl Acetate
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 288.03611
• Heavy Atom Count: 16
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

4-(Bromomethyl)-1-methoxy-2-(3-methoxypropoxy)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCCOC1=C(C=CC(=C1)CBr)OC
• Uses: Intermediate in the preparation of Aliskiren.

Technology Process of 4-(Bromomethyl)-1-methoxy-2-(3-methoxypropoxy)benzene

There total 7 articles about 4-(Bromomethyl)-1-methoxy-2-(3-methoxypropoxy)benzene 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: 100.0%

[4-methoxy-3-(3-methoxypropoxy)-phenyl]methanol (172900-74-2) → 4-(bromomethyl)-1-methoxy-2-(3-methoxypropoxy)-benzene (172900-73-1)

Guidance literature:

With trimethylsilyl bromide; at 20 ℃; for 0.166667h;

DOI:10.1002/hlca.200390235

Reference yield:

4-methoxy-3-(3-methoxypropoxy)benzaldehyde (172900-75-3) → 4-(bromomethyl)-1-methoxy-2-(3-methoxypropoxy)-benzene (172900-73-1)

Guidance literature:

Multi-step reaction with 2 steps

1: NaBH₄ / ethanol

2: PBr₃ / CH₂Cl₂

With sodium tetrahydroborate; phosphorus tribromide; In ethanol; dichloromethane;

DOI:10.1016/j.tetlet.2005.07.028

Reference yield:

isovanillin (621-59-0) → 4-(bromomethyl)-1-methoxy-2-(3-methoxypropoxy)-benzene (172900-73-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 98 percent / K₂CO₃ / acetonitrile

2: NaBH₄ / ethanol

3: PBr₃ / CH₂Cl₂

With sodium tetrahydroborate; phosphorus tribromide; potassium carbonate; In ethanol; dichloromethane; acetonitrile;

DOI:10.1016/j.tetlet.2005.07.028

upstream raw materials:

[4-methoxy-3-(3-methoxypropoxy)-phenyl]methanol

isovanillin

4-methoxy-3-(3-methoxypropoxy)benzaldehyde

3-(3-bromopropoxy)-4-methoxybenzaldehyde

Downstream raw materials:

(4R)-3-{(2R)-2-{[4-methoxy-3-(methoxypropoxy)phenyl]methyl-3-methyl}-1-oxobutyl}-4-(phenylmethyl)oxazolidin-2-one

C₄₀H₇₄N₄O₈Si

dimethyl-2(4-methoxy-3-(3-methoxypropyloxy)-benzyl)-2-isopropyl malonate

2-isopropyl-3-{2-[3-methoxy(propyloxy)]-4-methoxyphenyl}propionic acid