1-(3,4-Dimethylphenyl)ethanol

Base Information

• Chemical Name: 1-(3,4-Dimethylphenyl)ethanol
• CAS No.: 33967-19-0
• Molecular Formula: C10H14O
• Molecular Weight: 150.221
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID80955544
• Nikkaji Number: J1.617.241C
• Mol file: 33967-19-0.mol

Synonyms:1-(3,4-DIMETHYLPHENYL)ETHANOL;33967-19-0;1-(3,4-dimethylphenyl)ethan-1-ol;1-(3,4-Dimethylphenyl)ethanol-d3;159754-92-4;SCHEMBL280631;DTXSID80955544;AKOS000124718;AB90505;CS-0451317;FT-0667513;EN300-37140

Chemical Property of 1-(3,4-Dimethylphenyl)ethanol

Chemical Property:

• Vapor Pressure: 0.048mmHg at 25°C
• Boiling Point: 225.8°Cat760mmHg
• PKA: 14.71±0.20(Predicted)
• Flash Point: 100°C
• PSA: 20.23000
• Density: 0.981g/cm³
• LogP: 2.35670
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 122

Purity/Quality:

>95% ^*data from raw suppliers

1-(3,4-Dimethylphenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(C)O)C
• Uses: 1-(3,4-Dimethylphenyl)ethanol is an intermediate in the production of Medetomidine (M203250), α2-Adrenergic agonist. Sedative; analgesic.

Technology Process of 1-(3,4-Dimethylphenyl)ethanol

There total 19 articles about 1-(3,4-Dimethylphenyl)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:

isopropyl alcohol (67-63-0,8013-70-5) + 3,4-dimethylacetophenone (3637-01-2) → 1-(3,4-dimethylphenyl)ethanol (33967-19-0) + acetone (67-64-1)

Guidance literature:

With C₂₉H₃₅Cl₂NRu; potassium hydroxide; at 82 ℃; for 1h; Time;

DOI:10.1016/j.ica.2013.02.005

Reference yield:

o-xylene (95-47-6) → 1-(3,4-dimethylphenyl)ethanol (33967-19-0)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃

2: zinc dust; alcoholic KOH-solution

With potassium hydroxide; aluminium trichloride; zinc;

Reference yield:

o-xylene (95-47-6) → 1-(3,4-dimethylphenyl)ethanol (33967-19-0)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / 1,2-dichloro-ethane / 1 h / 0 °C

2: NaBH₄ / methanol / 1.5 h / 0 °C

With sodium tetrahydroborate; aluminium trichloride; In methanol; 1,2-dichloro-ethane;

DOI:10.1021/jm00125a027

upstream raw materials:

3,4-dimethylacetophenone

o-xylene

3,4-dimethylbenzonitrile

3-(m,p-dimethylphenyl)-2-butanone oxime

Downstream raw materials:

1,2-dimethyl-4-(prop-1-en-2-yl)benzene

3,4-dimethylstyrene

1-(3',4'-dimethylphenyl)ethyl hydrogen phthalate

1-(3,4-dimethylphenyl)ethyl pentafluorobenzoate

Refernces

• 1、 Mercan, Deniz,?etinkaya, Engin,?ahin, Ertan. "Ru(II)-arene complexes with N-substituted 3,4-dihydroquinazoline ligands and catalytic activity for transfer hydrogenation reaction". . p. 74 - 81. Retrieved 2013/07/19.
• 2、 Kagechika,Himi,Namikawa,Kawachi,Hashimoto,Shudo. "Retinobenzoic acids. 3. Structure-activity relationships of retinoidal azobenzene-4-carboxylic acids and stilbene-4-carboxylic acids". . p. 1098 - 1108. Retrieved 2007/10/02.