3-(4-Tert-butylphenyl)propan-1-ol

Base Information

• Chemical Name: 3-(4-Tert-butylphenyl)propan-1-ol
• CAS No.: 78574-08-0
• Molecular Formula: C13H20 O
• Molecular Weight: 192.301
• Hs Code.: 2906290090
• European Community (EC) Number: 616-636-2
• DSSTox Substance ID: DTXSID60570810
• Wikidata: Q82458361
• Mol file: 78574-08-0.mol

Synonyms:78574-08-0;3-(4-tert-butylphenyl)propan-1-ol;3-(4-(tert-Butyl)phenyl)propan-1-ol;3-(4-TERT-BUTYL-PHENYL)-PROPAN-1-OL;Benzenepropanol,4-(1,1-dimethylethyl)-;SCHEMBL1219727;DTXSID60570810;3-(4-tert-Butylphenyl)-1-propanol;AKOS011897473;SB85160;CS-0308777;C78468;EN300-131885;Z993012514

Chemical Property of 3-(4-Tert-butylphenyl)propan-1-ol

Chemical Property:

• Vapor Pressure: 0.000919mmHg at 25°C
• Refractive Index: 1.506
• Boiling Point: 291°C at 760 mmHg
• Flash Point: 114.5°C
• PSA: 20.23000
• Density: 0.947g/cm³
• LogP: 2.90900
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 192.151415257
• Heavy Atom Count: 14
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

3-(4-(Tert-butyl)phenyl)propan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(4-Tert-butylphenyl)propan-1-ol

There total 12 articles about 3-(4-Tert-butylphenyl)propan-1-ol 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: 92.0%

3-(4-tert-butylphenyl)propionic acid (1208-64-6) → 3-(4-tert-butylphenyl)propan-1-ol (78574-08-0)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Sealed tube;

DOI:10.1002/cmdc.201800649

Reference yield: 83.0%

→ 3-(4-tert-butylphenyl)propan-1-ol (78574-08-0)

Guidance literature:

Reference yield: 61.0%

ethanol (64-17-5) + p-tert-butylbenzyl alcohol (877-65-6) → 3-(4-tert-butylphenyl)propan-1-ol (78574-08-0)

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; potassium tert-butylate; In tetrahydrofuran; at 100 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.joc.0c01540

upstream raw materials:

acridine

4-[4-(1,1-dimethylethyl)phenyl]butanoic acid

oxirane

3-(4-tert-butyl-phenyl)propionic acid methyl ester

Downstream raw materials:

C₂₆H₃₈O₅S

C₃₀H₄₆O₇S

C₂₆H₃₆F₂O₇S

4-(3-bromopropyl)-1-(1,1-dimethylethyl)benzene