5-(Bromomethyl)-1,2,3-tris(dodecyloxy)benzene

Base Information

• Chemical Name: 5-(Bromomethyl)-1,2,3-tris(dodecyloxy)benzene
• CAS No.: 478083-71-5
• Molecular Formula: C43H79BrO3
• Molecular Weight: 724.002
• DSSTox Substance ID: DTXSID70587833
• Nikkaji Number: J3.462.008C
• Wikidata: Q82480325
• Mol file: 478083-71-5.mol

Synonyms:478083-71-5;Benzene, 5-(bromomethyl)-1,2,3-tris(dodecyloxy)-;SCHEMBL1237863;5-(BROMOMETHYL)-1,2,3-TRIS(DODECYLOXY)BENZENE;DTXSID70587833

Chemical Property of 5-(Bromomethyl)-1,2,3-tris(dodecyloxy)benzene

Chemical Property:

• XLogP3: 19.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 37
• Exact Mass: 722.52126
• Heavy Atom Count: 47
• Complexity: 566

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)CBr

Technology Process of 5-(Bromomethyl)-1,2,3-tris(dodecyloxy)benzene

There total 8 articles about 5-(Bromomethyl)-1,2,3-tris(dodecyloxy)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: 99.0%

3,4,5-tris(dodecyloxy)benzyl alcohol (138433-00-8) → 1-(bromomethyl)-3,4,5-tris(dodecyloxy)-benzene (478083-71-5)

Guidance literature:

With trimethylsilyl bromide; In chloroform; at 0 - 20 ℃; for 4h;

DOI:10.1039/b601987k

Reference yield: 99.0%

trimethylsilyl bromide (2857-97-8) + 3,4,5-tris(dodecyloxy)benzyl alcohol (138433-00-8) → 1-(bromomethyl)-3,4,5-tris(dodecyloxy)-benzene (478083-71-5)

Guidance literature:

In chloroform; at 0 - 20 ℃; for 4h;

DOI:10.1002/ejoc.200900290

Reference yield:

methyl galloate (99-24-1) → 1-(bromomethyl)-3,4,5-tris(dodecyloxy)-benzene (478083-71-5)

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CO₃ / dimethylformamide

2: 97 percent / LiAlH₄ / tetrahydrofuran / 20 °C

3: PBr₃ / CH₂Cl₂ / 20 °C

With lithium aluminium tetrahydride; phosphorus tribromide; potassium carbonate; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/ol701741e

upstream raw materials:

3,4,5-tris(dodecyloxy)benzyl alcohol

methyl galloate

1-dodecylbromide

methyl [3,4,5-tris(n-dodecan-1-yloxy)]benzoate

Downstream raw materials:

(3,4,5-tris-dodecyloxy-benzyl)-phosphonic acid diethyl ester

1-methyl-3-[3,4,5-tri(dodecyloxy)benzyl]imidazolium bromide

CF₃O₃S^(1-)*C₅₇H₈₈O₃PS₂⁽¹⁺⁾

P-phenyl-di(benzothieno)phosphole