1-Ethoxy-3-(propan-2-yl)benzene

Base Information

• Chemical Name: 1-Ethoxy-3-(propan-2-yl)benzene
• CAS No.: 124267-89-6
• Molecular Formula: C11H16 O
• Molecular Weight: 164.247
• DSSTox Substance ID: DTXSID60508138
• Nikkaji Number: J284.004I
• Wikidata: Q82364852
• Mol file: 124267-89-6.mol

Synonyms:124267-89-6;1-ethoxy-3-propan-2-ylbenzene;Benzene, 1-ethoxy-3-(1-methylethyl)- (9CI);3-ethoxycumene;1-Ethoxy-3-(propan-2-yl)benzene;SCHEMBL254878;DTXSID60508138;VQVKEKFXSQEVLU-UHFFFAOYSA-N;Benzene, 1-ethoxy-3-(1-methylethyl)-

Chemical Property of 1-Ethoxy-3-(propan-2-yl)benzene

Chemical Property:

• PSA: 9.23000
• LogP: 3.20870
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 164.120115130
• Heavy Atom Count: 12
• Complexity: 120

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC(=C1)C(C)C

Technology Process of 1-Ethoxy-3-(propan-2-yl)benzene

There total 1 articles about 1-Ethoxy-3-(propan-2-yl)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:

diethyl sulfate (64-67-5) + 1-methoxy-3-methyl-benzene (100-84-5) → 3-ethoxytoluene (621-32-9) + 3-ethoxy ethylbenzene (103386-84-1) + 3-propylethoxybenzene (101144-93-8) + 3-Isopropylphenetole (124267-89-6)

Guidance literature:

With n-butyllithium; hexane; potassium tert-butylate; Yield given. Multistep reaction. Further byproducts given. Yields of byproduct given; 1) heptane, reflux, 4.5 h, 2) THF;

DOI:10.1021/jo00291a044

Reference yield: 7.5%

3-Isopropylphenetole (124267-89-6) → 4-Ethoxy-2-i-propylbenzaldehyde (188247-24-7)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide;

Reference yield: 7.5%

3-Isopropylphenetole (124267-89-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-Ethoxy-2-i-propylbenzaldehyde (188247-24-7)

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate;

3-Isopropylphenetole; at 0 - 90 ℃; for 48h;

upstream raw materials:

diethyl sulfate

1-methoxy-3-methyl-benzene

Downstream raw materials:

4-Ethoxy-2-i-propylbenzaldehyde

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