3-(4-Methoxyphenoxy)-1-propanesulfonyl chloride

Base Information

• Chemical Name: 3-(4-Methoxyphenoxy)-1-propanesulfonyl chloride
• CAS No.: 118943-25-2
• Molecular Formula: C₁₀H₁₃ClO₄S
• Molecular Weight: 264.73
• Hs Code.: 2909309090
• European Community (EC) Number: 623-958-7
• DSSTox Substance ID: DTXSID60408720
• Mol file: 118943-25-2.mol

Synonyms:118943-25-2;3-(4-Methoxyphenoxy)-1-propanesulfonyl chloride;3-(4-methoxyphenoxy)propane-1-sulfonyl Chloride;1-Propanesulfonyl chloride, 3-(4-methoxyphenoxy)-;SCHEMBL737130;DTXSID60408720;UFZBQBXKJZWBBV-UHFFFAOYSA-N;MFCD04039947;AKOS005259863;CS-0257327;EN300-66961;1-Propanesulfonylchloride,3-(4-methoxyphenoxy)-;J-003926;3-(4-Methoxyphenoxy)-1-propanesulfonyl chloride, 98%;F9995-2230

Chemical Property of 3-(4-Methoxyphenoxy)-1-propanesulfonyl chloride

Chemical Property:

• Vapor Pressure: 6.41E-06mmHg at 25°C
• Melting Point: 45-46.7 °C
• Refractive Index: 1.527
• Boiling Point: 389.4 °C at 760 mmHg
• Flash Point: 189.3 °C
• PSA: 60.98000
• Density: 1.304 g/cm³
• LogP: 3.11350
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 264.0223078
• Heavy Atom Count: 16
• Complexity: 278

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-Methoxyphenoxy)propane-1-sulfonylChloride ^*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: COC1=CC=C(C=C1)OCCCS(=O)(=O)Cl

Technology Process of 3-(4-Methoxyphenoxy)-1-propanesulfonyl chloride

There total 2 articles about 3-(4-Methoxyphenoxy)-1-propanesulfonyl chloride 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: 94.0%

sodium 3-(4′-methoxyphenoxy)propane-1-sulfonate → 3-(4′-methoxyphenoxy)propane-1-sulfonyl chloride (118943-25-2)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 2h;

DOI:10.1039/c8ob01439f

Reference yield:

4-methoxy-phenol (150-76-5) → 3-(4′-methoxyphenoxy)propane-1-sulfonyl chloride (118943-25-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / methanol; 1,4-dioxane

2: thionyl chloride / N,N-dimethyl-formamide / 2 h / 0 - 20 °C

With thionyl chloride; sodium hydroxide; In 1,4-dioxane; methanol; N,N-dimethyl-formamide;

DOI:10.1039/c8ob01439f

Reference yield: 74.0%

3-(4′-methoxyphenoxy)propane-1-sulfonyl chloride (118943-25-2) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 3-(2′,5′-bis(chloromethyl)-4′-methoxyphenoxy)propane-1-sulfonyl chloride (118943-26-3)

Guidance literature:

With hydrogenchloride; acetic acid; In water; at 85 ℃; for 4h;

DOI:10.1039/c8ob01439f

upstream raw materials:

4-methoxy-phenol

Downstream raw materials:

(3R)-1,1-dichloro-5-(4-methoxyphenoxy)-pent-1-ene-3-sulfonic acid

3-(2′,5′-bis(chloromethyl)-4′-methoxyphenoxy)propane-1-sulfonyl chloride

Refernces