(2-Chloropropoxy)benzene

Base Information

• Chemical Name: (2-Chloropropoxy)benzene
• CAS No.: 53491-30-8
• Molecular Formula: C9H11ClO
• Molecular Weight: 170.639
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID10340489
• Nikkaji Number: J149.340J
• Mol file: 53491-30-8.mol

Synonyms:(2-Chloropropoxy)benzene;1-Phenoxy-2-chloropropane;53491-30-8;2-chloropropoxybenzene;MFCD00059488;2-Chloropropoxy benzene;2-Chloropropyl Phenyl Ether;2-Chloro-1-phenoxypropane;(2-Chloropropoxy)benzene #;SCHEMBL9123715;DTXSID10340489;AKOS015966599;AS-58220;CS-0453362;FT-0728055;P0117;D91900;A870706

Chemical Property of (2-Chloropropoxy)benzene

Chemical Property:

• Vapor Pressure: 0.0976mmHg at 25°C
• Refractive Index: 1.506
• Boiling Point: 95oC / 5mmHg
• Flash Point: 98.4oC
• PSA: 9.23000
• Density: 1.11 g/cm3
• LogP: 2.69270
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 170.0498427
• Heavy Atom Count: 11
• Complexity: 99.7

Purity/Quality:

97% ^*data from raw suppliers

1-Phenoxy-2-chloropropane ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(COC1=CC=CC=C1)Cl

Technology Process of (2-Chloropropoxy)benzene

There total 6 articles about (2-Chloropropoxy)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:

1-phenoxy-2-propanol (770-35-4,130879-97-9) → 1-phenoxy-2-chloropropane (53491-30-8)

Guidance literature:

With pyridine; thionyl chloride;

DOI:10.1021/ja01153a033

Reference yield:

C28H25ClN2O → 1-phenoxy-2-chloropropane (53491-30-8)

Guidance literature:

With ethanethiol; In dichloromethane; cyclohexane; at 35 - 40 ℃; for 1.5h; Inert atmosphere;

DOI:10.1002/anie.201510909

Reference yield:

3-phenoxy-2-propanone (621-87-4) → 1-phenoxy-2-chloropropane (53491-30-8)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium alanate; diethyl ether

2: pyridine; thionyl chloride

With pyridine; lithium aluminium tetrahydride; thionyl chloride; diethyl ether;

upstream raw materials:

1-phenoxy-2-propanol

sodium ethanolate

methyloxirane

3-phenoxy-2-propanone

Downstream raw materials:

4-ethyl-8-(1-methyl-2-phenoxy-ethyl)-1-oxa-3,8-diaza-spiro[4.5]decan-2-one