1-[(1S)-3-chloro-1-phenylpropoxy]-2-methoxybenzene

Base Information

• Chemical Name: 1-[(1S)-3-chloro-1-phenylpropoxy]-2-methoxybenzene
• CAS No.: 114446-52-5
• Molecular Formula: C₁₆H₁₇ClO₂
• Molecular Weight: 276.763
• DSSTox Substance ID: DTXSID601230113
• Nikkaji Number: J1.365.967B

Synonyms:SCHEMBL9772801;DTXSID601230113;114446-52-5;1-[(1S)-3-chloro-1-phenylpropoxy]-2-methoxybenzene

Chemical Property of 1-[(1S)-3-chloro-1-phenylpropoxy]-2-methoxybenzene

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 276.0917075
• Heavy Atom Count: 19
• Complexity: 241

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=CC=C1OC(CCCl)C2=CC=CC=C2
• Isomeric SMILES: COC1=CC=CC=C1O[C@@H](CCCl)C2=CC=CC=C2

Technology Process of 1-[(1S)-3-chloro-1-phenylpropoxy]-2-methoxybenzene

There total 5 articles about 1-[(1S)-3-chloro-1-phenylpropoxy]-2-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: 60.0%

2-methoxy-phenol (90-05-1) + (1R)-3-chloro-1-phenylpropanol (100306-33-0,125712-82-5) → -(-)-1-chloro-3-phenyl-3-(2-methoxyphenoxy)propane (114446-52-5)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; Ambient temperature;

DOI:10.1021/jo00248a005

Reference yield: 46.4%

3-chloro-1-phenyl-propan-1-ol (18776-12-0,125712-82-5) + 2-methoxy-phenol (90-05-1) → -(-)-1-chloro-3-phenyl-3-(2-methoxyphenoxy)propane (114446-52-5)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 20 ℃;

DOI:10.1039/b000846j

Reference yield:

3-chloropropiophenone (936-59-4) → -(-)-1-chloro-3-phenyl-3-(2-methoxyphenoxy)propane (114446-52-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / NaBH₄ / ethanol / 2 h / 20 °C

2: 46.4 percent / PPh₃; diethyl azodicarboxylate / tetrahydrofuran / 20 °C

With sodium tetrahydroborate; triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; ethanol; 1: Reduction / 2: Etherification;

DOI:10.1039/b000846j

upstream raw materials:

2-methoxy-phenol

(1R)-3-chloro-1-phenylpropanol

3-chloro-1-phenyl-propan-1-ol

3-chloropropiophenone

Downstream raw materials:

-(-)-nisoxetine hydrochloride

(S)-N-methyl-3-(2-methoxyphenoxy)-3-phenyl-1-propanamine

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