2-(3-Chloropropoxy)-1,3-dimethylbenzene

Base Information

• Chemical Name: 2-(3-Chloropropoxy)-1,3-dimethylbenzene
• CAS No.: 1626-42-2
• Molecular Formula: C11H15 Cl O
• Molecular Weight: 198.6892
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID90563290
• Nikkaji Number: J346.345A
• Wikidata: Q82447700
• Mol file: 1626-42-2.mol

Synonyms:2-(3-CHLOROPROPOXY)-1,3-DIMETHYLBENZENE;1626-42-2;SCHEMBL6373909;DTXSID90563290;XOIDAVGIYOAHGU-UHFFFAOYSA-N;AKOS000144373;1-chloro-3-(2,6-dimethylphenoxy)-propane

Chemical Property of 2-(3-Chloropropoxy)-1,3-dimethylbenzene

Chemical Property:

• Boiling Point: 140-142 °C(Press: 18 Torr)
• PSA: 9.23000
• Density: 1.043±0.06 g/cm3(Predicted)
• LogP: 3.31110
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 198.0811428
• Heavy Atom Count: 13
• Complexity: 128

Purity/Quality:

98%min ^*data from raw suppliers

2-(3-CHLOROPROPOXY)-1,3-DIMETHYLBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(3-Chloropropoxy)-1,3-dimethylbenzene

There total 4 articles about 2-(3-Chloropropoxy)-1,3-dimethylbenzene 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:

2.6-dimethylphenol (576-26-1,25134-01-4) + 1.3-chlorobromopropane (109-70-6) → 2-(3-bromopropyloxy)-2,6-dimethylbenzene (3245-54-3) + (3-chloro-propyl)-(2,6-dimethyl-phenyl)-ether (1626-42-2)

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:

3-(2,6-dimethyl-phenoxy)-propan-1-ol (857231-77-7) → (3-chloro-propyl)-(2,6-dimethyl-phenyl)-ether (1626-42-2)

Guidance literature:

With pyridine; thionyl chloride;

DOI:10.1002/hlca.19530360218

Reference yield:

2.6-dimethylphenol (576-26-1,25134-01-4) → (3-chloro-propyl)-(2,6-dimethyl-phenyl)-ether (1626-42-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous NaOH

2: SOCl₂; pyridine

With pyridine; sodium hydroxide; thionyl chloride;

DOI:10.1002/hlca.19530360218

upstream raw materials:

3-(2,6-dimethyl-phenoxy)-propan-1-ol

2.6-dimethylphenol

1.3-chlorobromopropane

Downstream raw materials:

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

4-(2,6-dimethyl-phenoxy)-butane-nitrile

N-[4-(2,6-Dimethyl-phenoxy)-butyl]-guanidin

4-(2,6-Dimethyl-phenyoxy)-butylamin