1-(Dichloromethyl)-3-phenoxybenzene

Base Information

• Chemical Name: 1-(Dichloromethyl)-3-phenoxybenzene
• CAS No.: 53874-68-3
• Molecular Formula: C13H10 Cl2 O
• Molecular Weight: 253.128
• Hs Code.: 2909309090
• European Community (EC) Number: 258-833-2
• DSSTox Substance ID: DTXSID60202129
• Nikkaji Number: J279.524H
• Wikidata: Q83075394
• Mol file: 53874-68-3.mol

Synonyms:1-(Dichloromethyl)-3-phenoxybenzene;m-Phenoxybenzal chloride;3-Phenoxybenzal chloride;53874-68-3;Benzene, 1-(dichloromethyl)-3-phenoxy-;EINECS 258-833-2;BRN 1966430;SCHEMBL9774306;DTXSID60202129;LS-29807

Chemical Property of 1-(Dichloromethyl)-3-phenoxybenzene

Chemical Property:

• Vapor Pressure: 0.000208mmHg at 25°C
• Boiling Point: 337.2°Cat760mmHg
• Flash Point: 110.3°C
• PSA: 9.23000
• Density: 1.266g/cm³
• LogP: 4.95510
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 252.0108703
• Heavy Atom Count: 16
• Complexity: 202

Purity/Quality:

98%Min ^*data from raw suppliers

1-(DICHLOROMETHYL)-3-PHENOXYBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)C(Cl)Cl

Technology Process of 1-(Dichloromethyl)-3-phenoxybenzene

There total 8 articles about 1-(Dichloromethyl)-3-phenoxybenzene 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%

3-phenoxybenzaldehyde N-tert-butyldimethylsilylhydrazone (690274-99-8) → α,α-dichloro-3-phenoxytoluene (53874-68-3)

Guidance literature:

With triethylamine; copper dichloride; In methanol; at -10 - 23 ℃;

DOI:10.1021/ja049694s

Reference yield: 59.8%

3-phenoxytoluene (3586-14-9) → α,α-dichloro-3-phenoxytoluene (53874-68-3) + 3-phenoxybenzyl chloride (53874-66-1)

Guidance literature:

Reference yield:

3-phenoxytoluene (3586-14-9) → α,α-dichloro-3-phenoxytoluene (53874-68-3) + 3-phenoxybenzyl chloride (53874-66-1) + C13H9Cl3O

Guidance literature:

With 2,2'-azobis(isobutyronitrile); chlorine; In tetrachloromethane; Overall yield = 49.2 g; Reflux;

upstream raw materials:

3-phenoxybenzaldehyde N-tert-butyldimethylsilylhydrazone

3-phenoxytoluene

3-methyl-phenol

chlorobenzene

Downstream raw materials:

3-Phenoxybenzaldehyde

Refernces

• 1、 Furrow, Michael E.,Myers, Andrew G.. "Practical Procedures for the Preparation of N-tert-Butyldimethylsilylhydrazones and Their Use in Modified Wolff-Kishner Reductions and in the Synthesis of Vinyl Halides and gem-Dihalides". . p. 5436 - 5445. Retrieved 2007/10/03.