o-Butoxyphenol

Base Information

• Chemical Name: o-Butoxyphenol
• CAS No.: 39075-90-6
• Molecular Formula: C10H14O2
• Molecular Weight: 166.22
• ChEMBL ID: CHEMBL2252445
• DSSTox Substance ID: DTXSID601037347
• Nikkaji Number: J363.057I
• Mol file: 39075-90-6.mol

Synonyms:o-Butoxyphenol;2-butoxyphenol;2-butoxy-phenol;39075-90-6;1-hydroxy-2-butoxybenzene;SCHEMBL543533;CHEMBL2252445;KKOWXJFINYUXEE-UHFFFAOYSA-N;DTXSID601037347;A1-06217

Chemical Property of o-Butoxyphenol

Chemical Property:

• Vapor Pressure: 0.039mmHg at 25°C
• Refractive Index: 1.5113 (estimate)
• Boiling Point: 232.5°C (estimate)
• PKA: 9.71±0.30(Predicted)
• PSA: 29.46000
• Density: 1.0260
• LogP: 2.57110
• Water Solubility.: 651.6mg/L(24.99 oC)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 114

Purity/Quality:

2-Butoxyphenol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCOC1=CC=CC=C1O

Technology Process of o-Butoxyphenol

There total 17 articles about o-Butoxyphenol 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: 57.0%

1-bromo-butane (109-65-9) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 2-butoxyphenol (39075-90-6)

Guidance literature:

benzene-1,2-diol; With sodium hydride; In tetrahydrofuran; for 0.5h;

1-bromo-butane; In tetrahydrofuran; for 4h; Further stages.; Heating;

DOI:10.1021/ac025713+

Reference yield: 35.0%

1,2-dimethoxybenzene (91-16-7) + 1-n-butyl-3-methylimidazolim bromide (85100-77-2) → 1,2-dibutoxybenzene (20367-35-5) + 2-butoxyphenol (39075-90-6) + 1-n-butoxy-2-methoxybenzene (51241-33-9) + 2-methoxy-phenol (90-05-1)

Guidance literature:

at 220 ℃; for 0.666667h; Inert atmosphere; Microwave irradiation;

DOI:10.1055/s-0030-1258087

Reference yield:

n-butyl phenyl ether (1126-79-0) + dibutoxy(tert-butyldioxy)borane (25079-10-1) → methane (34557-54-5,27936-85-2) + 1-butoxy-1-tert-butoxy-butane (93002-31-4) + 2-butoxyphenol (39075-90-6) + 4-n-butoxyphenol (122-94-1) + acetone (67-64-1) + butan-1-ol (71-36-3)

Guidance literature:

at 110 ℃; Rate constant; Mechanism;

upstream raw materials:

ethylmagnesium iodide

diethyl ether

o-xylene

1-n-butoxy-2-methoxybenzene

Downstream raw materials:

3-butoxy-4-hydroxybenzaldehyde

2-allyl-6-butoxy phenol

1-allyloxy-2-butoxy benzene

1-[4-(2-butoxyphenoxymethyl)-2-(4-chlorophenyl)-[1,3]-dioxolan-2-ylmethyl]-1H-[1,2,4]-triazole

Refernces

• 1、 -. "METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni". Page/Page column 9. . Retrieved 2010/07/04.
• 2、 Akhtar, Yasmin,Yu, Yang,Isman, Murray B.,Plettner, Erika. "Dialkoxybenzene and dialkoxyallylbenzene feeding and oviposition deterrents against the cabbage looper, trichoplusia ni: Potential insect behavior control agents". scheme or table. p. 4983 - 4991. Retrieved 2011/08/06.