Butyl Dichloromethyl Ether

Base Information

• Chemical Name: Butyl Dichloromethyl Ether
• CAS No.: 5312-73-2
• Molecular Formula: C5H10Cl2O
• Molecular Weight: 157.04
• Hs Code.: 2909199090
• European Community (EC) Number: 679-793-6
• DSSTox Substance ID: DTXSID00401497
• Nikkaji Number: J534.073J
• Wikidata: Q82204636
• Mol file: 5312-73-2.mol

Synonyms:5312-73-2;Butyl Dichloromethyl Ether;DICHLOROMETHYL N-BUTYL ETHER;1-(dichloromethoxy)butane;DICHLOROMETHYLN-BUTYLETHER;Dichloromethyl Butyl Ether;1-Dichloromethoxy-butane;SCHEMBL2108013;DTXSID00401497;GVVHBNABFJZWIC-UHFFFAOYSA-N;MFCD00191420;AKOS006227983;BS-44078;D2278;FT-0690728;D90026

Chemical Property of Butyl Dichloromethyl Ether

Chemical Property:

• Vapor Pressure: 3.99mmHg at 25°C
• Refractive Index: 1.434
• Boiling Point: 50oC / 11mmHg
• Flash Point: 11.8oC
• PSA: 9.23000
• Density: 1.11
• LogP: 2.56430
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Acetone, Acetonitrile, Chloroform, DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 156.0108703
• Heavy Atom Count: 8
• Complexity: 47.7

Purity/Quality:

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

DichloromethylN-ButylEther ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(Cl)Cl

Technology Process of Butyl Dichloromethyl Ether

There total 2 articles about Butyl Dichloromethyl Ether 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:

n-butoxychlorocarbene → 1-butylene (106-98-9,9003-28-5) + 1,2-dibutoxy-1,2-dichloro-ethene (232269-26-0) + s-butyl chloride (78-86-4,53178-20-4) + n-Butyl chloride (109-69-3) + dichloromethyl n-butyl ether (5312-73-2)

Guidance literature:

With pyridine; tetrabutyl-ammonium chloride; In acetonitrile; at 24 ℃; Rate constant; Thermodynamic data; E_a; ΔS(excit.);

DOI:10.1021/ja984418x

Reference yield:

3-chloro-3-n-butoxydiazirine → 1-butylene (106-98-9,9003-28-5) + 1,2-dibutoxy-1,2-dichloro-ethene (232269-26-0) + s-butyl chloride (78-86-4,53178-20-4) + n-Butyl chloride (109-69-3) + dichloromethyl n-butyl ether (5312-73-2) + C10H18Cl2N2O2

Guidance literature:

In acetonitrile; at 25 ℃; for 0.333333h; Product distribution; Irradiation; other diazirines; also in the presence of pyridine or/and n-Bu₄NCl;

DOI:10.1021/ja984418x

Reference yield: 91.0%

Methylenedioxybenzene (274-09-9) + dichloromethyl n-butyl ether (5312-73-2) → piperonal (120-57-0,30024-74-9)

Guidance literature:

With iron(III) chloride; In dichloromethane; at 5 ℃; for 1h;

DOI:10.1016/j.tetlet.2017.10.052

Downstream raw materials:

3-Methyl-fluoranthen

8-methyl-fluoranthene

-butyl-aether

2,4,5-trimethyl-thiophene-3-carbaldehyde

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