2-(Chloromethyl)-3,5-dioxahex-1-ene

Base Information

• Chemical Name: 2-(Chloromethyl)-3,5-dioxahex-1-ene
• CAS No.: 105104-40-3
• Molecular Formula: C5H9ClO2
• Molecular Weight: 136.578
• Hs Code.: 2909199090
• European Community (EC) Number: 679-624-6
• DSSTox Substance ID: DTXSID70443309
• Nikkaji Number: J254.937I
• Wikidata: Q82261061
• Mol file: 105104-40-3.mol

Synonyms:2-(Chloromethyl)-3,5-dioxahex-1-ene;105104-40-3;3-chloro-2-(methoxymethoxy)prop-1-ene;1-Propene, 3-chloro-2-(methoxymethoxy)-;2-(chloromethyl)-3,5-dioxa-1-hexene;3-chloro-2-(methoxymethoxy)-1-propene;SCHEMBL1001049;2-(Methoxymethoxy)allyl chloride;2-methoxymethyloxy-allyl chloride;DTXSID70443309;JKHPOPCIKQQRPU-UHFFFAOYSA-N;MFCD00130115;AKOS006221478;SB12739;2-(chloromethyl)-3,5-dioxahexa-1-ene;AS-50395;3-chloro-2-(methoxymethyloxy)-prop-1-ene;CS-0055666;FT-0692097;EN300-112080;P10081

Chemical Property of 2-(Chloromethyl)-3,5-dioxahex-1-ene

Chemical Property:

• Refractive Index: 1.4430-1.4450
• Boiling Point: 63°C 3,5mm
• Flash Point: 57.281oC
• PSA: 18.46000
• Density: 1,1 g/cm3
• LogP: 1.35940
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 136.0291072
• Heavy Atom Count: 8
• Complexity: 72.8

Purity/Quality:

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

2-(Chloromethyl)-3,5-dioxahex-1-ene ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCOC(=C)CCl

Technology Process of 2-(Chloromethyl)-3,5-dioxahex-1-ene

There total 1 articles about 2-(Chloromethyl)-3,5-dioxahex-1-ene 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: 87.4%

1,3-dichloro-2-(methoxymethoxy)propane (70905-45-2) → Okahara's reagent (105104-40-3)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at -13 - 20 ℃; for 12h;

DOI:10.1021/jo980094j

Reference yield: 93.0%

Okahara's reagent (105104-40-3) + ortho-anisaldehyde (135-02-4) → 4-hydroxy-4-(2-methoxyphenyl)butan-2-one

Guidance literature:

With indium; ethylene dibromide; In tetrahydrofuran; water; at 20 ℃;

DOI:10.1016/j.tetlet.2009.09.113

Reference yield: 90.0%

Okahara's reagent (105104-40-3) + thiophenol (108-98-5) → 1-(phenylsulfanyl)acetone (5042-53-5)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; at 60 ℃; for 2h;

DOI:10.1021/jo00391a003

upstream raw materials:

1,3-dichloro-2-(methoxymethoxy)propane

Downstream raw materials:

trans-1-(phenylthio)-6-oxo-4-oxahept-1-ene

1-chloro-4-methoxy-butan-2-one

2-(2-oxopropyl)cyclohexanone

ethyl 2-acetyl-4-oxopentanoate