1-(3-Chloropropyl)-4-methoxybenzene

Base Information

• Chemical Name: 1-(3-Chloropropyl)-4-methoxybenzene
• CAS No.: 59623-12-0
• Molecular Formula: C10H13ClO
• Molecular Weight: 184.666
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID20397686
• Nikkaji Number: J1.274.956B
• Mol file: 59623-12-0.mol

Synonyms:59623-12-0;1-(3-chloropropyl)-4-methoxybenzene;3-(4'-methoxyphenyl)propyl chloride;Benzene, 1-(3-chloropropyl)-4-methoxy-;p-Anisyl-athylchlorid;4-(3-Chloropropyl)anisole;SCHEMBL1796734;DTXSID20397686;ACDKPXVTMLYNEE-UHFFFAOYSA-N;3-(4-methoxyphenyl)propyl chloride;AKOS009359586;AS-76695;CS-0097097;FT-0640615;D75832;EN300-675186;A832389

Chemical Property of 1-(3-Chloropropyl)-4-methoxybenzene

Chemical Property:

• Vapor Pressure: 0.0126mmHg at 25°C
• Refractive Index: 1.508
• Boiling Point: 268.6 °C at 760 mmHg
• Flash Point: 119.6 °C
• PSA: 9.23000
• Density: 1.06 g/cm³
• LogP: 2.86660
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 184.0654927
• Heavy Atom Count: 12
• Complexity: 108

Purity/Quality:

98%Min ^*data from raw suppliers

3-(4''-methoxyphenyl)propylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CCCCl

Technology Process of 1-(3-Chloropropyl)-4-methoxybenzene

There total 13 articles about 1-(3-Chloropropyl)-4-methoxybenzene 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: 78.0%

3-(p-methoxyphenyl)-1-propanol (5406-18-8) → 3-(4'-methoxy phenyl)-propylchloride (59623-12-0)

Guidance literature:

With tetrachloromethane; triphenylphosphine; for 8h; Heating;

DOI:10.1021/jf011103j

Reference yield: 44.0%

1-chloro-3-(4-methoxyphenyl)propyl phenyl sulfoxide (115878-50-7) → 3-(4'-methoxy phenyl)-propylchloride (59623-12-0)

Guidance literature:

1-chloro-3-(4-methoxyphenyl)propyl phenyl sulfoxide; With methylmagnesium chloride; In tetrahydrofuran; at -80 ℃; for 0.166667h;

With ammonium chloride; Further stages.;

DOI:10.1016/j.tet.2004.04.063

Reference yield:

C18H17ClO5 (84648-36-2) → Estragole (140-67-0) + C16H17ClO (84648-46-4) + 3-Chloro-benzoic acid 3-(4-methoxy-phenyl)-propyl ester (84648-40-8) + 3-(4'-methoxy phenyl)-propylchloride (59623-12-0) + 1,3-Dichlorobenzene (541-73-1)

Guidance literature:

In various solvent(s); at 100 ℃; Mechanism; CIDNP, thermolyse;

DOI:10.1021/jo00155a006

upstream raw materials:

3-(p-methoxyphenyl)-1-propanol

C₁₈H₁₇ClO₅

1-chloro-3-(4-methoxyphenyl)propyl phenyl sulfoxide

(E)-5-[2-4-(hydroxyphenyl)ethenyl]-1,3-benzenediol

Downstream raw materials:

1-[3-(4-methoxy-phenyl)-propyl]-2-oxo-cyclopentanecarboxylic acid ethyl ester

10-[3-(4-Methoxy-phenyl)-propyl]-10H-phenothiazine

5-[3-(4-Methoxy-phenyl)-propyl]-10,11-dihydro-5H-dibenzo[b,f]azepine

10-[3-(4-Methoxy-phenyl)-propyl]-2-trifluoromethyl-10H-phenothiazine