1-[4-(3-Bromopropoxy)-2-hydroxy-3-propylphenyl]ethanone

Base Information

• Chemical Name: 1-[4-(3-Bromopropoxy)-2-hydroxy-3-propylphenyl]ethanone
• CAS No.: 40786-20-7
• Molecular Formula: C14H19 Br O3
• Molecular Weight: 315.207
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID60379461
• Wikidata: Q82169282
• Mol file: 40786-20-7.mol

Synonyms:1-[4-(3-bromopropoxy)-2-hydroxy-3-propylphenyl]ethanone;40786-20-7;1-[4-(3-bromopropoxy)-2-hydroxy-3-propylphenyl]ethan-1-one;SCHEMBL4343526;DTXSID60379461;DRGBHKZRLWJAOU-UHFFFAOYSA-N;MFCD00100400;AKOS005215922;FT-0715377;3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl bromide;3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylbromide;(4-(3-bromopropoxy)-2-hydroxy-3-propylphenyl)-ethanone;(4-(3-bromopropoxy)-2-hydroxy-3-propylphenyl)ethanone;3-(2-n-propyl-3-hydroxy-4-acetylphenoxy)1-bromopropane;3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-propyl bromide;3-(4-acetyl-3-hydroxy-2-propylphenoxy)-propyl bromide;4'-(3-bromopropoxy)-2'-hydroxy-3'-n-propylacetophenone;1-[4-(3-bromopropoxy)-2-hydroxy-3-propylphenyl] ethanone;3-(2-n-propyl-3-hydroxy-4-acetylphenoxy)-1-bromopropane;1-[4-(3-Bromo-propoxy)-2-hydroxy-3-propyl-phenyl]-ethanone

Chemical Property of 1-[4-(3-Bromopropoxy)-2-hydroxy-3-propylphenyl]ethanone

Chemical Property:

• Vapor Pressure: 4.6E-08mmHg at 25°C
• Boiling Point: 431.9°C at 760 mmHg
• PKA: 10.28±0.15(Predicted)
• Flash Point: 215°C
• PSA: 46.53000
• Density: 1.319g/cm³
• LogP: 3.71110
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 314.05176
• Heavy Atom Count: 18
• Complexity: 257

Purity/Quality:

1-[4-(3-Bromopropoxy)-2-hydroxy-3-propylphenyl]ethanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=C(C=CC(=C1O)C(=O)C)OCCCBr

Technology Process of 1-[4-(3-Bromopropoxy)-2-hydroxy-3-propylphenyl]ethanone

There total 3 articles about 1-[4-(3-Bromopropoxy)-2-hydroxy-3-propylphenyl]ethanone 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:

1-(2,4-dihydroxy-3-propylphenyl)ethanone (40786-69-4) + 1,3-dibromo-propane (109-64-8) → 4-<(3-bromopropyl)oxy>-2-hydroxy-3-propylacetophenone (40786-20-7)

Guidance literature:

With potassium carbonate; potassium iodide; In acetone; Heating;

DOI:10.1021/jm00213a012

Reference yield:

methyl 1,2,3,4-tetrahydro-7-hydroxy-8-propyl-2-naphthalenecarboxylate (120072-78-8) → methyl 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-1,2,3,4-tetrahydro-8-propyl-2-naphthalenecarboxylate (120072-79-9) + 4-<(3-bromopropyl)oxy>-2-hydroxy-3-propylacetophenone (40786-20-7)

Guidance literature:

With potassium carbonate; sodium iodide; In butanone;

Reference yield:

→ 4-<(3-bromopropyl)oxy>-2-hydroxy-3-propylacetophenone (40786-20-7)

Guidance literature:

3-Propyl(res)acetophenon, 1,3-Dibrompropan;

upstream raw materials:

1-(2,4-dihydroxy-3-propylphenyl)ethanone

1,3-dibromo-propane

methyl 1,2,3,4-tetrahydro-7-hydroxy-8-propyl-2-naphthalenecarboxylate

Downstream raw materials:

3-[3-(4-acetyl-3-hydroxy-2-n-propylphenoxy)-propoxy]-nitrobenzene

2-<3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy>-6-nitrobenzonitrile

4-{4-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-propylsulfanyl]-phenyl}-4-oxo-butyronitrile

{4-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-propylsulfanyl]-phenyl}-acetic acid methyl ester