alpha-Cyclopropyl-4-ethylbenzyl alcohol

Base Information

• Chemical Name: alpha-Cyclopropyl-4-ethylbenzyl alcohol
• CAS No.: 84100-47-0
• Molecular Formula: C12H16O
• Molecular Weight: 176.258
• Hs Code.: 2906299090
• European Community (EC) Number: 282-126-8
• DSSTox Substance ID: DTXSID701004381
• Nikkaji Number: J297.512B
• Mol file: 84100-47-0.mol

Synonyms:alpha-Cyclopropyl-4-ethylbenzyl alcohol;84100-47-0;EINECS 282-126-8;Cyclopropyl 4-ethylphenyl carbinol;SCHEMBL20202578;Cyclopropyl(4-ethylphenyl)methanol;DTXSID701004381;Cyclopropyl(4-ethylphenyl)methanol #;alpha-Cyclopropyl-4-ethylbenzenemethanol;Benzenemethanol, .alpha.-cyclopropyl-4-ethyl-

Chemical Property of alpha-Cyclopropyl-4-ethylbenzyl alcohol

Chemical Property:

• Boiling Point: 288.2oC at 760 mmHg
• Flash Point: 124.4oC
• PSA: 20.23000
• Density: 1.083g/cm3
• LogP: 2.69240
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C(C2CC2)O

Technology Process of alpha-Cyclopropyl-4-ethylbenzyl alcohol

There total 1 articles about alpha-Cyclopropyl-4-ethylbenzyl alcohol 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: 47.0%

1-bromo-4-ethylbenzene (1585-07-5) + Cyclopropanecarboxaldehyde (1489-69-6) → cyclopropyl(4-ethylphenyl)methanol (84100-47-0)

Guidance literature:

1-bromo-4-ethylbenzene; With iodine; magnesium; In diethyl ether; at 20 ℃; for 3h;

Cyclopropanecarboxaldehyde; In diethyl ether; at 0 - 20 ℃; for 2h;

DOI:10.1016/j.tetlet.2020.152506

Reference yield: 67.0%

cyclopropyl(4-ethylphenyl)methanol (84100-47-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → (E)-4-(4-ethylphenyl)but-3-en-1-yl formate

Guidance literature:

With copper(ll) bromide; at 140 ℃; for 12h; stereoselective reaction; Sealed tube;

DOI:10.1016/j.tetlet.2020.152506

upstream raw materials:

1-bromo-4-ethylbenzene

Cyclopropanecarboxaldehyde

Refernces