1-(2-Chloropropoxy)-2-(phenylmethyl)benzene

Base Information

• Chemical Name: 1-(2-Chloropropoxy)-2-(phenylmethyl)benzene
• CAS No.: 85909-36-0
• Molecular Formula: C16H17 Cl O
• Molecular Weight: 260.763
• Hs Code.: 2909309090
• European Community (EC) Number: 288-839-0
• DSSTox Substance ID: DTXSID501006498
• Nikkaji Number: J317.497B
• Mol file: 85909-36-0.mol

Synonyms:1-(2-Chloropropoxy)-2-(phenylmethyl)benzene;85909-36-0;1-benzyl-2-(2-chloropropoxy)benzene;EINECS 288-839-0;DTXSID501006498;2-Benzyl-1-(2-chloropropoxy)benzene

Chemical Property of 1-(2-Chloropropoxy)-2-(phenylmethyl)benzene

Chemical Property:

• Vapor Pressure: 4.97E-05mmHg at 25°C
• Boiling Point: 359.3°C at 760 mmHg
• Flash Point: 170.5°C
• PSA: 9.23000
• Density: 1.097g/cm³
• LogP: 4.28350
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 260.0967929
• Heavy Atom Count: 18
• Complexity: 225

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(COC1=CC=CC=C1CC2=CC=CC=C2)Cl

Technology Process of 1-(2-Chloropropoxy)-2-(phenylmethyl)benzene

There total 5 articles about 1-(2-Chloropropoxy)-2-(phenylmethyl)benzene 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: 88.59%

(2-benzylphenoxy)-2-propanol (5029-76-5) → (2-benzyl-phenyl)-(2-chloro-propyl)-ether (85909-36-0)

Guidance literature:

With Dichloromethylsilane; iron(III) chloride; In 1,2-dimethoxyethane; at 84 ℃; for 4h; Reflux; Green chemistry;

Reference yield:

→ (2-benzyl-phenyl)-(2-chloro-propyl)-ether (85909-36-0)

Guidance literature:

With thionyl chloride;

DOI:10.1021/ja01153a033

Reference yield:

phenol (108-95-2,27073-41-2) → (2-benzyl-phenyl)-(2-chloro-propyl)-ether (85909-36-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 1,1,3,3-tetrakis((trifluoromethyl)sulfonyl)prop-1-ene / Green chemistry

2: sodium hydroxide / water / 4 h / 65 - 100 °C / Green chemistry

3: Dichloromethylsilane; iron(III) chloride / 1,2-dimethoxyethane / 4 h / 84 °C / Reflux; Green chemistry

With Dichloromethylsilane; iron(III) chloride; 1,1,3,3-tetrakis((trifluoromethyl)sulfonyl)prop-1-ene; sodium hydroxide; In 1,2-dimethoxyethane; water;

upstream raw materials:

phenol

benzyl alcohol

o-Benzylphenol

(2-benzylphenoxy)-2-propanol

Downstream raw materials:

1-[1-methyl-2-[2-(phenylmethyl)phenoxy]ethyl]piperidine

Refernces