1-Butoxy-2,3-Difluorobenzene

Base Information

• Chemical Name: 1-Butoxy-2,3-Difluorobenzene
• CAS No.: 136239-66-2
• Molecular Formula: C₁₀H₁₂F₂O
• Molecular Weight: 186.201
• Hs Code.: 2909309090
• European Community (EC) Number: 446-810-1,603-949-4
• DSSTox Substance ID: DTXSID70382365
• Wikidata: Q72513935
• Mol file: 136239-66-2.mol

Synonyms:1-Butoxy-2,3-Difluorobenzene;136239-66-2;Benzene, 1-butoxy-2,3-difluoro-;2,3-difluoro-1-butoxybenzene;3-butoxy-1,2-difluorobenzene;C10H12F2O;2,3-DIFLUOROBUTOXYBENZENE;SCHEMBL427889;4-butoxy-2,3-difluorobenzene;DTXSID70382365;HYDIPEHDSUNHPA-UHFFFAOYSA-N;But-1-yl 2,3-difluorophenyl ether;MFCD07368738;AKOS015890364;CS-W016911;DS-16166;B5058;FT-0658623;EC 446-810-1

Chemical Property of 1-Butoxy-2,3-Difluorobenzene

Chemical Property:

• Vapor Pressure: 0.278mmHg at 25°C
• Refractive Index: 1.458
• Boiling Point: 210.489 °C at 760 mmHg
• Flash Point: 87.744 °C
• PSA: 9.23000
• Density: 1.087 g/cm³
• LogP: 3.14370
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• Water Solubility.: 2.8mg/L at 20℃
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 186.08562133
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

1-Butoxy-2,3-difluorobenzene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=C(C(=CC=C1)F)F

Technology Process of 1-Butoxy-2,3-Difluorobenzene

There total 2 articles about 1-Butoxy-2,3-Difluorobenzene 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: 90.8%

n-Butyl chloride (109-69-3) + 2,3-difluorophenol (6418-38-8) → 2,3-difluorophenyl butyl ether (136239-66-2)

Guidance literature:

With trimethylbenzylammonium bromide; potassium hydroxide; In 5,5-dimethyl-1,3-cyclohexadiene; water; N,N-dimethyl-formamide; at 30 ℃; Reflux; Industrial scale;

Reference yield: 80.0%

1-bromo-butane (109-65-9) + 2,3-difluorophenol (6418-38-8) → 2,3-difluorophenyl butyl ether (136239-66-2)

Guidance literature:

2,3-difluorophenol; With sodium hydroxide; In water; at 70 ℃; Inert atmosphere;

1-bromo-butane; In water; at 70 ℃; for 2h;

Reference yield:

2,3-difluorophenyl butyl ether (136239-66-2) → 2,3-difluoro-4-butoxyphenol (136239-68-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / cyclohexane / 2 h / -70 - -60 °C / Inert atmosphere

1.2: 2 h / -70 - -60 °C

2.1: dihydrogen peroxide / water / 2 h / 20 - 25 °C

2.2: pH 6 - 7

With n-butyllithium; dihydrogen peroxide; In cyclohexane; water;

upstream raw materials:

1-bromo-butane

2,3-difluorophenol

n-Butyl chloride

Downstream raw materials:

1-butoxy-4-(4-(4-(4-(2,3-difluoro-4-hexyloxyphenyl)cyclohex-1-enyl)-2,3-difluorophenyl)cyclohex-1-en yl)-2,3-difluorobenzene

trans-4'-(4-butoxy-2,3-difluorophenyl)-trans-4-hydroxymethylbicyclohexyl

1,2-difluoro-3-hexyloxybenzene

8-(4-hexyloxy-2,3-difluorophenyl)-1,4-dioxaspiro[4.5]decane

Refernces

• 1、 -. "TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE". Page/Page column 43. . Retrieved 2011/01/12.