2-Mesitylethanol

Base Information

• Chemical Name: 2-Mesitylethanol
• CAS No.: 6950-92-1
• Molecular Formula: C11H16O
• Molecular Weight: 164.247
• Hs Code.: 2905199090
• European Community (EC) Number: 230-123-7
• NSC Number: 65639
• UNII: PW9B824K7A
• DSSTox Substance ID: DTXSID80219739
• Nikkaji Number: J265.987E
• Wikidata: Q83096720
• Mol file: 6950-92-1.mol

Synonyms:2-mesitylethanol;6950-92-1;2-Hydroxyethylmesitylene;2-(2,4,6-trimethylphenyl)ethanol;2,4,6-Trimethylphenethylalcohol;2,4,6-Trimethylbenzeneethanol;PW9B824K7A;EINECS 230-123-7;NSC-65639;2-(2,4,6-trimethylphenyl)ethan-1-ol;NSC65639;2-Mesitylethan-1-ol;NCIOpen2_000193;UNII-PW9B824K7A;2-Mesitylethanol, AldrichCPR;2,4,6-Trimethylphenylethanol;SCHEMBL555490;DTXSID80219739;2,4,6-Trimethylphenethyl Alcohol;Benzeneethanol, 2,4,6-trimethyl-;MFCD00020609;NSC 65639;2-(2,4,6-Trimethylphenyl)-athanol;AKOS009157391;DS-4953;CS-0128345;FT-0612781;M2624;O10814;EN300-1869866;A866815;AE-641/00008046;2-Mesitylethanol;2-Hydroxyethylmesitylene~2,4,6-Trimethylphenethyl alcohol~2-(2,4,6-Trimethylphenyl)ethanol

Chemical Property of 2-Mesitylethanol

Chemical Property:

• Appearance/Colour: White mass or fluffy needle
• Vapor Pressure: 0.000939mmHg at 25°C
• Melting Point: 81-83 °C
• Refractive Index: 1.526
• Boiling Point: 290.7 °C at 760 mmHg
• Flash Point: 138.4 °C
• PSA: 20.23000
• Density: 0.974 g/cm ³
• LogP: 2.14660
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 164.120115130
• Heavy Atom Count: 12
• Complexity: 121

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Mesitylethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)CCO)C

Technology Process of 2-Mesitylethanol

There total 12 articles about 2-Mesitylethanol 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: 98.0%

oxirane (75-21-8,99932-75-9) + 2,4,6-trimethylphenyl bromide (576-83-0) → 2-(2,4,6-trimethylphenyl)ethanol (6950-92-1)

Guidance literature:

2,4,6-trimethylphenyl bromide; With magnesium;

oxirane;

DOI:10.1055/s-2006-944190

Reference yield: 92.0%

2-ethynyl-1,3,5-trimethylbenzene (769-26-6) → 2-(2,4,6-trimethylphenyl)ethanol (6950-92-1)

Guidance literature:

With formic acid; F₆P^(1-)*C₁₆H₂₂N₃Ru⁽¹⁺⁾; water; trifluoroacetic acid; In 1-methyl-pyrrolidin-2-one; at 25 ℃; for 48h; Inert atmosphere; Sealed tube;

DOI:10.1021/ja501738a

Reference yield: 70.5%

→ 2-(2,4,6-trimethylphenyl)ethanol (6950-92-1)

Guidance literature:

With magnesium; In tetrahydrofuran; at 30 ℃; for 7h; Inert atmosphere;

With oxirane; at 30 ℃; Cooling with ice; Inert atmosphere;

upstream raw materials:

oxirane

2-mesitylmagnesium bromide

2,4,6-trimethylbenzyl alcohol

2-mesitylacetic acid

Downstream raw materials:

1'-(2-mesitylethyl)-6-methoxy-3,4-dihydro-1H-spiro[naphthalene-2,2'-piperidin]-1-one hydrochloride

2-(2,4,6-Trimethyl-phenyl)-ethyl-p-toluolsulfonat

ethylmesitylene

Refernces

• 1、 -. "Fentanyl analogue and application thereof". Paragraph 0033; 0034; 0036; 0037. . Retrieved 2018/10/04.
• 2、 Zeng, Mingshuo,Li, Le,Herzon, Seth B.. "A highly active and air-stable ruthenium complex for the ambient temperature anti-markovnikov reductive hydration of terminal alkynes". supporting information. p. 7058 - 7067. Retrieved 2014/06/09.