1-(4-Isobutylphenyl)ethanol

Base Information

• Chemical Name: 1-(4-Isobutylphenyl)ethanol
• CAS No.: 40150-92-3
• Molecular Formula: C12H18O
• Molecular Weight: 178.274
• Hs Code.: 2906299090
• European Community (EC) Number: 641-487-5
• UNII: J5CKP7HNL5
• DSSTox Substance ID: DTXSID80960592
• Nikkaji Number: J860.841E
• Wikidata: Q82941824
• Mol file: 40150-92-3.mol

Synonyms:40150-92-3;1-(4-Isobutylphenyl)ethanol;1-[4-(2-methylpropyl)phenyl]ethanol;1-[4-(2-methylpropyl)phenyl]ethan-1-ol;alpha-(4-Isobutylphenyl)ethanol;1-(4'-Isobutylphenyl)ethanol;1-(4-isobutylphenyl)ethan-1-ol;J5CKP7HNL5;(1-hydroxyethyl)-4-(2-methylpropyl)benzene;1-(4-(2-Methylpropyl)phenyl)ethanol;Benzenemethanol, alpha-methyl-4-(2-methylpropyl)-;Benzenemethanol, .alpha.-methyl-4-(2-methylpropyl)-;1-(4-Isobutyl-phenyl)-ethanol;UNII-J5CKP7HNL5;1-(4-isobutyl-phenyl)ethanol;SCHEMBL4049764;1-(4-Isobutylphenyl)ethanol #;DTXSID80960592;MFCD08275597;alpha-(4-isobutylphenyl)ethyl alcohol;AKOS000125350;AKOS022272169;alpha-(4-isobutylphenyl) ethyl alcohol;AS-37923;Benzene, 1-(1-hydroxyethyl)-4-isobutyl-;CS-0154242;FT-0670424;EN300-80919;Z228586258

Chemical Property of 1-(4-Isobutylphenyl)ethanol

Chemical Property:

• Vapor Pressure: 0.0153mmHg at 25°C
• Refractive Index: 1.512
• Boiling Point: 245.5 °C at 760 mmHg
• PKA: 14.53±0.20(Predicted)
• Flash Point: 108.2 °C
• PSA: 20.23000
• Density: 0.954 g/cm³
• LogP: 2.93840
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

(1-HYDROXYETHYL)-4-(2-METHYLPROPYL)BENZENE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1=CC=C(C=C1)C(C)O
• Uses: 1-(4-Isobutylphenyl)ethanol is a photodegradation product of Ibuprofen (I140000). Shows cytotoxicity activity.

Technology Process of 1-(4-Isobutylphenyl)ethanol

There total 18 articles about 1-(4-Isobutylphenyl)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: 99.9%

1-(4-isobutyl-phenyl)-ethanone (38861-78-8) → 1-(4-isobutylphenyl)ethanol (40150-92-3)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; for 1h;

DOI:10.1248/cpb.49.799

Reference yield: 99.0%

ibuprofen (15687-27-1,58560-75-1) → 1-(4-isobutylphenyl)ethanol (40150-92-3)

Guidance literature:

With sodium tetrahydroborate; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; oxygen; caesium carbonate; In dichloromethane; at 40 ℃; for 40h; Irradiation;

DOI:10.1021/acs.joc.0c00312

Reference yield: 95.0%

(RS)-p-isobutyl-1-phenylethanol acetate (138948-58-0) → 1-(4-isobutylphenyl)ethanol (40150-92-3)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃; for 24h;

DOI:10.3762/bjoc.14.92

upstream raw materials:

1-(4-isobutyl-phenyl)-ethanone

2-(4-isobutylphenyl)propionaldehyde

ibuprofen

trichlorofluoromethane

Downstream raw materials:

p-isobutylstyrene

S-(-)-1-(-)-[4-isobutylphenyl]-chloroethane

2-Nitro-benzoic acid 1-(4-isobutyl-phenyl)-ethyl ester

ibuprofen

Refernces

• 1、 Pawar, Sandeep J.,Patil, Shivkumar Y.,Mahulikar, Pramod P.,Zope, Vishvanath S.. "Synthesis of Ibuprofen intermediate using alcoholic silver nanoparticles and its kinetics: A greener approach towards drug synthesis". . p. 147 - 153. Retrieved 2017.
• 2、 -. "CONTINUOUS FLOW SYNTHESIS OF IBUPROFEN". Paragraph 0018; 0020; 0370-0371; 0376-0377; 0380; 0388. . Retrieved 2021/04/23.
• 3、 Pothikumar, Rajagopal,Bhat, Venugopal T,Namitharan, Kayambu. "Pyridine mediated transition-metal-free direct alkylation of anilines using alcohols: via borrowing hydrogen conditions". supporting information. p. 13607 - 13610. Retrieved 2020/11/17.