1-Bromo-4-(difluoromethoxy)benzene

Base Information

• Chemical Name: 1-Bromo-4-(difluoromethoxy)benzene
• CAS No.: 5905-69-1
• Molecular Formula: C7H5BrF2O
• Molecular Weight: 223.017
• Hs Code.: 2909309090
• European Community (EC) Number: 622-933-8
• DSSTox Substance ID: DTXSID20371764
• Nikkaji Number: J2.420.246A
• Wikidata: Q72463284
• Mol file: 5905-69-1.mol

Synonyms:1-Bromo-4-(difluoromethoxy)benzene;5905-69-1;4-(Difluoromethoxy)bromobenzene;p-difluoromethoxybromobenzene;Benzene, 1-bromo-4-(difluoromethoxy)-;4-Bromo-1-(difluoromethoxy)benzene;1-(difluoromethoxy)-4-bromobenzene;4-difluoromethoxybromobenzene;p-difluoro-methoxybromobenzene;SCHEMBL157708;(4-bromophenoxy)difluoromethane;4-bromo-(difluoromethoxy)benzene;Bromo-4-(difluoromethoxy)benzene;1-Bromo-4-Difluoromethoxybenzene;DTXSID20371764;1-bromo-4-(difluoromethoxy)-benzene;CK2358;MFCD00221465;AKOS000167337;CS-W013106;PS-7805;1-Bromo-4-(difluoromethoxy)benzene, 95%;A1743;AM20060133;FT-0607491;EN300-68615

Chemical Property of 1-Bromo-4-(difluoromethoxy)benzene

Chemical Property:

• Vapor Pressure: 0.359mmHg at 25°C
• Refractive Index: n20/D 1.5020(lit.)
• Boiling Point: 205.406 °C at 760 mmHg
• Flash Point: 92.591 °C
• PSA: 9.23000
• Density: 1.583 g/cm³
• LogP: 3.05050
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 221.94918
• Heavy Atom Count: 11
• Complexity: 113

Purity/Quality:

98% ^*data from raw suppliers

1-Bromo-4-(difluoromethoxy)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1OC(F)F)Br

Technology Process of 1-Bromo-4-(difluoromethoxy)benzene

There total 18 articles about 1-Bromo-4-(difluoromethoxy)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: 85.0%

4-bromo-phenol (106-41-2) + trifluoromethan (75-46-7) → 1-bromo-4-(difluoromethoxy)benzene (5905-69-1)

Guidance literature:

With potassium hydroxide; In 1,4-dioxane; water; at 50 ℃; Solvent; Temperature;

DOI:10.1016/j.jfluchem.2014.08.015

Reference yield: 80.0%

dichloromethyl 4-bromophenyl ether → 1-bromo-4-(difluoromethoxy)benzene (5905-69-1)

Guidance literature:

With C₄H₈O*5FH; at 20 ℃; for 12h; Reagent/catalyst; Temperature; Time; Inert atmosphere;

DOI:10.1016/j.jfluchem.2014.01.018

Reference yield: 79.0%

4-bromo-phenol (106-41-2) + Chlorodifluoromethane (75-45-6) → 1-bromo-4-(difluoromethoxy)benzene (5905-69-1)

Guidance literature:

With sodium hydroxide; In isopropyl alcohol; at 65 - 75 ℃; for 6h;

upstream raw materials:

4-bromo-phenol

Chlorodifluoromethane

2-chloro-2,2-difluoroacetophenone

(chlorodifluoromethylsulfonyl)benzene

Downstream raw materials:

2-(4-(difluoromethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

3-(4-difluoromethoxy-phenyl)-propan-1-ol

3-(4-difluoromethoxy-phenyl)-propionaldehyde

3-(4-difluoromethoxy-phenyl)-propionic acid

Refernces

• 1、 Lee, Johnny W.,Lim, Sanghyun,Maienshein, Daniel N.,Liu, Peng,Ngai, Ming-Yu. "Redox-Neutral TEMPO Catalysis: Direct Radical (Hetero)Aryl C?H Di- and Trifluoromethoxylation". supporting information. p. 21475 - 21480. Retrieved 2020/10/02.
• 2、 -. "DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME". Page/Page column 75; 79; 89; 92. . Retrieved 2019/09/18.