Dichlorodiphenoxymethane

Base Information

• Chemical Name: Dichlorodiphenoxymethane
• CAS No.: 4885-03-4
• Molecular Formula: C13H10Cl2O2
• Molecular Weight: 269.127
• European Community (EC) Number: 628-047-8
• DSSTox Substance ID: DTXSID80408505
• Nikkaji Number: J282.766B
• Wikidata: Q82213998
• Mol file: 4885-03-4.mol

Synonyms:Dichlorodiphenoxymethane;4885-03-4;[dichloro(phenoxy)methoxy]benzene;Phosgene diphenyl acetal;Benzene, 1,1'-[(dichloromethylene)bis(oxy)]bis-;diphenoxydichloromethane;SCHEMBL2743975;DTXSID80408505;TVIUSKXXXZSVJU-UHFFFAOYSA-N;1,1-dichloro-1,1-diphenoxymethane;MFCD00087870;AKOS024319289;AM803948;W10367;A855856

Chemical Property of Dichlorodiphenoxymethane

Chemical Property:

• Melting Point: 39-44 °C(lit.)
• Boiling Point: 377.6 °C at 760 mmHg
• Flash Point: 143.6 °C
• PSA: 18.46000
• Density: 1.315 g/cm³
• LogP: 4.23330
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 268.0057849
• Heavy Atom Count: 17
• Complexity: 200

Purity/Quality:

98%,99%, ^*data from raw suppliers

Dichlorodiphenoxymethane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC(OC2=CC=CC=C2)(Cl)Cl
• Uses: Reactant for:Cyclocondensation of aminophenols and aminesPreparation of LIM-Kinase 2 inhibitors for the treatment of ocular hypertension

Technology Process of Dichlorodiphenoxymethane

There total 3 articles about Dichlorodiphenoxymethane 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: 97.0%

bis(phenyl) carbonate (102-09-0) → dichlorodiphenoxymethane (4885-03-4)

Guidance literature:

With phosphorus pentachloride; at 180 ℃; for 24h;

DOI:10.1071/ch9961261

Reference yield: 95.0%

diphenoxymethane (4442-41-5) → dichlorodiphenoxymethane (4885-03-4)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); chlorine; In tetrachloromethane; at 80 - 85 ℃; for 2h;

DOI:10.1055/s-1988-27765

Reference yield:

→ dichlorodiphenoxymethane (4885-03-4)

Guidance literature:

DOI:10.1055/s-1974-23268

upstream raw materials:

bis(phenyl) carbonate

diphenoxymethane

Downstream raw materials:

tetraphenyl orthocarbonate

methyl 2-(benzoyloxy)-2-methylpropanoate

phenyl 2,2-dimethyl-3-oxobutyrate

2,2-Diphenoxy-[1,3]dioxepane

Refernces

• 1、 Theobald, Paula,Porter, John,Rivier, Catherine,Corrigan, Anne,Hook, William,et al.. "Novel Gonadotropin-Releasing Hormone Antagonists: Peptides Incorporating Modified Nω-Cyanoguanidino Moieties". . p. 2395 - 2402. Retrieved 2007/10/02.
• 2、 Webb, R. Lee,Labaw, Clifford S.. "Diphenyl Cyanocarbonimidate. A Versatile Synthon for the Construction of Heterocyclic Systems". . p. 1205 - 1206. Retrieved 2007/10/02.