4-Butylbenzene-1,2-diol

Base Information

• Chemical Name: 4-Butylbenzene-1,2-diol
• CAS No.: 2525-05-5
• Molecular Formula: C10H14O2
• Molecular Weight: 166.22
• Hs Code.: 2907299090
• ChEMBL ID: CHEMBL1276242
• DSSTox Substance ID: DTXSID10559498
• Nikkaji Number: J683.178H
• Wikidata: Q72514554
• Mol file: 2525-05-5.mol

Synonyms:4-Butylbenzene-1,2-diol;4-BUTYLPYROCATECHOL;2525-05-5;CHEMBL1276242;5-butylcatechol;4-n-butylcatechol;4-butylbenzene-1, 2-diol;SCHEMBL1052163;4-Butyl-1,2-dihydroxy benzene;DTXSID10559498;LAVPWYRENKSWJM-UHFFFAOYSA-N;BDBM50483035;MFCD00873218;AKOS006273705;BS-16319;CS-0163331;D84238;EN300-1599518

Chemical Property of 4-Butylbenzene-1,2-diol

Chemical Property:

• Boiling Point: 300.347 °C at 760 mmHg
• Flash Point: 144.209 °C
• PSA: 40.46000
• Density: 1.093 g/cm³
• LogP: 2.44040
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Acetonitrile (Slightly), Methanol (Slightly)
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 125

Purity/Quality:

98%Min ^*data from raw suppliers

4-Butyl-1,2-dihydroxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC(=C(C=C1)O)O

Technology Process of 4-Butylbenzene-1,2-diol

There total 9 articles about 4-Butylbenzene-1,2-diol 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: 91.0%

1,2-dimethoxy-4-butylbenzene (59056-76-7) → 1,2-dihydroxy-4-butylbenzene (2525-05-5)

Guidance literature:

With boron tribromide; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1039/c6ta07639d

Reference yield: 80.0%

1-(3,4-Dihydroxyphenyl)-n-butanol (25527-85-9) → 1,2-dihydroxy-4-butylbenzene (2525-05-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 2h; Ambient temperature; five drops 12N HCl;

DOI:10.1248/cpb.39.1736

Reference yield:

1,2-dimethoxy-4-butylbenzene (59056-76-7) + sodium thiosulfate → 1,2-dihydroxy-4-butylbenzene (2525-05-5)

Guidance literature:

With hydrogen bromide; acetic acid; In water;

upstream raw materials:

1,2-dimethoxy-4-butylbenzene

1-(3,4-Dihydroxyphenyl)-n-butanol

3,4-dihydroxybenzaldehyde

1,2-dimethoxybenzene

Refernces

• 1、 Xiao, Zhu-Ping,Ma, Tao-Wu,Fu, Wei-Chang,Peng, Xiao-Chun,Zhang, Ai-Hua,Zhu, Hai-Liang. "The synthesis, structure and activity evaluation of pyrogallol and catechol derivatives as Helicobacter pylori urease inhibitors". experimental part. p. 5064 - 5070. Retrieved 2010/12/24.
• 2、 -. "Catechol diacetate derivatives for inducing the production of nerve growth factor to treat degenerative diseases in the central nervous system". . . Retrieved 2008/06/13.