1-(4-tert-Butylphenyl)ethanol

Base Information

• Chemical Name: 1-(4-tert-Butylphenyl)ethanol
• CAS No.: 34386-42-0
• Molecular Formula: C₁₂H₁₈O
• Molecular Weight: 178.274
• European Community (EC) Number: 849-778-0
• NSC Number: 92388
• DSSTox Substance ID: DTXSID50293804
• Nikkaji Number: J102.604F
• Mol file: 34386-42-0.mol

Synonyms:1-(4-tert-Butylphenyl)ethanol;34386-42-0;1-(p-tert-Butylphenyl)ethanol;1-(4-tert-butylphenyl)ethan-1-ol;4-(TERT-BUTYL)-ALPHA-METHYLBENZYLALCOHOL;4-tert-Butyl-.alpha.-methylbenzyl alcohol;NSC92388;NCIOpen2_001341;1-(4-t-butyl-phenyl)ethanol;SCHEMBL2644008;1-[4-(t-butyl)phenyl]ethanol;Benzenemethanol, 4-(1,1-dimethylethyl)-.alpha.-methyl-;DTXSID50293804;1-(4-tert-butyl-phenyl)-ethanol;1-(4-tert-Butylphenyl)ethanol #;BEA32512;BEA32514;NSC-92388;AKOS000125904;AKOS016899535;CS-0247122;FT-0702856;(+)-4-tert.-butyl-alpha-methylbenzyl alcohol;(+)-p-tert.-butyl-alpha-methylbenzyl alcohol;EN300-35738;F83204;Benzenemethanol,1-dimethylethyl)-.alpha.-methyl-;Z228586202

Chemical Property of 1-(4-tert-Butylphenyl)ethanol

Chemical Property:

• Vapor Pressure: 0.0499mmHg at 25°C
• Melting Point: 66.6-67.4 °C(Solv: hexane (110-54-3))
• Boiling Point: 225.2°Cat760mmHg
• PKA: 14.58±0.20(Predicted)
• Flash Point: 105.5°C
• Density: 0.952g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

1-(4-tert-Butylphenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)C(C)(C)C)O
• Uses: 1-(4-tert-Butylphenyl)ethanol is a reagent used in the preparation of complexes that are bio-nanocomposite based.

Technology Process of 1-(4-tert-Butylphenyl)ethanol

There total 50 articles about 1-(4-tert-Butylphenyl)ethanol 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: 99.0%

4'-t-butylacetophenone (943-27-1) → (R)-1-(p-tert-butylphenyl)ethanol (34386-42-0,101325-14-8,119479-30-0,101325-12-6)

Guidance literature:

With formic acid; (all-R)-C(CH₂OCH₂CH₂CONHC₆H₄SO₂NHCHPhCHPhNH₂)4; triethylamine; [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; In methanol; at 28 ℃; for 45h;

DOI:10.1021/jo0257795

Reference yield: 98.0%

4'-t-butylacetophenone (943-27-1) → (S)-1-(4-tert-butylphenyl)ethanol (34386-42-0,101325-12-6,119479-30-0,101325-14-8)

Guidance literature:

With dichloro(benzene)ruthenium(II) dimer; 3^A-deoxy-3^A-methylamino-altro-β-cyclodextrin; sodium formate; In water; N,N-dimethyl-formamide; at 25 ℃; for 12h; optical yield given as %ee; enantioselective reaction;

DOI:10.1002/adsc.200700558

Reference yield: 97.0%

4'-t-butylacetophenone (943-27-1) → 1-(4-tert-butylphenyl)ethanol (101325-12-6,101325-14-8,119479-30-0,34386-42-0)

Guidance literature:

With PEG-400; sodium tetrahydroborate; In water; benzene; for 5h; Heating;

upstream raw materials:

4'-t-butylacetophenone

1-(tert-butyl)-4-(1-chloroethyl)benzene

4-tert-Butylbenzaldehyde

methylmagnesium bromide

Downstream raw materials:

1-(1-bromoethyl)-4-(tert-butyl)benzene

4'-t-butylacetophenone

(S)-1-(4-tert-butylphenyl)ethanol

(R)-1-(p-tert-butylphenyl)ethanol