1-(3-Chloropropoxy)-3-methylbenzene

Base Information

• Chemical Name: 1-(3-Chloropropoxy)-3-methylbenzene
• CAS No.: 62806-87-5
• Molecular Formula: C10H13ClO
• Molecular Weight: 184.666
• DSSTox Substance ID: DTXSID60509206
• Nikkaji Number: J346.341I
• Wikidata: Q82366622

Synonyms:1-(3-chloropropoxy)-3-methylbenzene;62806-87-5;SCHEMBL7323942;DTXSID60509206;YHHSOJRBOXOGFK-UHFFFAOYSA-N;3-(3-methylphenoxy)-propylchloride;1-chloro-3-(3-methylphenoxy)propane;AKOS000146605;1-chloro-3-(3-methyl-phenoxy)-propane;3-(3-methyl-phenoxy)-1- chloro-propane;CS-0116907

Chemical Property of 1-(3-Chloropropoxy)-3-methylbenzene

Chemical Property:

• Boiling Point: 117-118 °C(Press: 7 Torr)
• PSA: 9.23000
• Density: 1.1134 g/cm3
• LogP: 3.00270
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 184.0654927
• Heavy Atom Count: 12
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)OCCCCl

Technology Process of 1-(3-Chloropropoxy)-3-methylbenzene

There total 2 articles about 1-(3-Chloropropoxy)-3-methylbenzene 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: 81.0%

3-methyl-phenol (108-39-4) + 1.3-chlorobromopropane (109-70-6) → 1-(3-chloropropoxy)-3-methylbenzene (62806-87-5)

Guidance literature:

With potassium carbonate; In acetone; for 24h; Heating;

DOI:10.1021/jm00121a022

Reference yield:

3-methyl-phenol (108-39-4) + 1.3-chlorobromopropane (109-70-6) → 3-(3-methylphenoxy)propyl bromide (6291-74-3) + 1-(3-chloropropoxy)-3-methylbenzene (62806-87-5)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In toluene; for 24h; Yield given. Yields of byproduct given; Heating;

DOI:10.1055/s-1990-27096

Reference yield: 62.0%

1-(3-chloropropoxy)-3-methylbenzene (62806-87-5) + 1,1-bis(4-fluorophenyl)-1-(4-piperidinyl)methanol (60284-98-2) → α,α-Bis(4-fluorophenyl)-1-[3-(3-methylphenoxy)propyl]-4-piperidinemethanol (117023-43-5)

Guidance literature:

With sodium carbonate; potassium iodide; In butan-1-ol; Heating;

DOI:10.1021/jm00121a022

upstream raw materials:

3-methyl-phenol

1.3-chlorobromopropane

Downstream raw materials:

S-3-(3'-methylphenoxy)propyl-N,N-dimethylthiolcarbamate

α,α-Bis(4-fluorophenyl)-1-[3-(3-methylphenoxy)propyl]-4-piperidinemethanol

3-[(N-(3-(3-Methyl-phenoxy)-propyl)-piperidin-3-yl)-methyl]-7,8-methylendioxy-1,3,4, 5-tetrahydro-2H-3-benzazepin-2-one-hydrochloride

2-[(N-(3-(3-Methyl-phenoxy)-propyl)-piperidin-3-yl)-methyl]-6,7-methylenedioxy-1-oxo-1,2,3,4-tetrahydro-isoquinoline-hydrochloride

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