1-Chloro-3-ethoxybenzene

Base Information

• Chemical Name: 1-Chloro-3-ethoxybenzene
• CAS No.: 2655-83-6
• Molecular Formula: C8H9ClO
• Molecular Weight: 156.612
• Hs Code.: 2909309090
• European Community (EC) Number: 220-185-3
• DSSTox Substance ID: DTXSID40181125
• Nikkaji Number: J100.832C
• Wikidata: Q83051751
• Mol file: 2655-83-6.mol

Synonyms:1-Chloro-3-ethoxybenzene;3-Chlorophenetole;2655-83-6;Phenetole, m-chloro-;Benzene, 1-chloro-3-ethoxy-;EINECS 220-185-3;3-Chlorophenetole, 97%;m-Chlorophenyl ethyl ether;1-chloro-3-ethoxy-benzene;1-Chloro-3-ethoxybenzene #;1-chloranyl-3-ethoxy-benzene;SCHEMBL315808;DTXSID40181125;AKOS008947784;FT-0615503;A818506;J-016473

Chemical Property of 1-Chloro-3-ethoxybenzene

Chemical Property:

• Vapor Pressure: 0.371mmHg at 25°C
• Refractive Index: n20/D 1.525(lit.)
• Boiling Point: 204.7 °C at 760 mmHg
• Flash Point: 83.7 °C
• PSA: 9.23000
• Density: 1.103 g/cm³
• LogP: 2.73870
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 156.0341926
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

99% ^*data from raw suppliers

3-CHLOROPHENETOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC1=CC(=CC=C1)Cl

Technology Process of 1-Chloro-3-ethoxybenzene

There total 6 articles about 1-Chloro-3-ethoxybenzene 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: 96.0%

1-bromo-3-chlorobenzene (108-37-2) + sodium ethanolate (141-52-6) → 1-chloro-3-ethoxybenzene (2655-83-6)

Guidance literature:

With lithium chloride; copper(I) bromide; formic acid ethyl ester; In ethanol; at 110 ℃; for 4h; Sealed tube;

DOI:10.1002/ejoc.201500500

Reference yield: 80.0%

triethyl borate (150-46-9) + p-chlorobenzoic acid potassium salt (15163-60-7) → 1-chloro-3-ethoxybenzene (2655-83-6)

Guidance literature:

With oxygen; copper diacetate; silver carbonate; In N,N-dimethyl-formamide; at 140 ℃; for 36h; under 760.051 Torr;

DOI:10.1002/anie.201208755

Reference yield:

O,O-diethyl benzylphosphonate (1080-32-6) + sodium m-chlorophenoxide (3046-27-3) → 1-chloro-3-ethoxybenzene (2655-83-6)

Guidance literature:

at 160 ℃;

upstream raw materials:

O,O-diethyl benzylphosphonate

sodium m-chlorophenoxide

3-monochlorophenol

ethyl iodide

Downstream raw materials:

3-chloro-4-chloromethyl-phenetole

4-chloro-2-hydroxy-benzenesulfonic acid

3-monochlorophenol

2,2-di(3-ethoxyphenyl)acetonitrile

Refernces

• 1、 Bhadra, Sukalyan,Dzik, Wojciech I.,Goo?en, Lukas J.. "Synthesis of aryl ethers from benzoates through carboxylate-directed C-H-activating alkoxylation with concomitant protodecarboxylation". supporting information. p. 2959 - 2962. Retrieved 2013/04/10.
• 2、 -. "COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION". Page/Page column 72. . Retrieved 2009/01/20.