4-Isopropylanisole

Base Information

• Chemical Name: 4-Isopropylanisole
• CAS No.: 4132-48-3
• Molecular Formula: C10H14O
• Molecular Weight: 150.221
• Hs Code.: 2909309090
• European Community (EC) Number: 223-952-0
• UNII: 4ZHK779KMX
• DSSTox Substance ID: DTXSID60194292
• Nikkaji Number: J45.654C
• Wikidata: Q63409179
• Mol file: 4132-48-3.mol

Synonyms:4-Isopropylanisole;4132-48-3;1-Isopropyl-4-methoxybenzene;4-Methoxycumene;p-Isopropylanisole;Anisole, p-isopropyl-;1-methoxy-4-propan-2-ylbenzene;p-Methoxycumene;Benzene, 1-methoxy-4-(1-methylethyl)-;p-Methoxyisopropylbenzene;4ZHK779KMX;1-methoxy-4-(propan-2-yl)benzene;EINECS 223-952-0;1-methoxy-4-(1-methylethyl)benzene;MFCD00015033;2-(4-Methoxyphenyl)propane;4-Isopropylanisole, 95%;4-Isopropylanisole, 97%;UNII-4ZHK779KMX;2-(p-Methoxyphenyl)propane;PARA-ISOPROPYLANISOLE;SCHEMBL84040;1-Methoxy-4-isopropylbenzene;4-isopropyl-1-methoxybenzene;1-isopropyl-4-methoxy benzene;ANISOLE, 4-ISOPROPYL-;4-METHOXYISOPROPYLBENZENE;1-Isopropyl-4-methoxybenzene #;SCHEMBL12015215;DTXSID60194292;AMY28232;4-(1-methylethyl)-1-methoxybenzene;AKOS008952505;PS-5749;CS-0154278;FT-0618831;I0588;EN300-188707;A825516;Q63409179

Chemical Property of 4-Isopropylanisole

Chemical Property:

• Vapor Pressure: 2.25E-14mmHg at 25°C
• Melting Point: 60-61 °C
• Refractive Index: n20/D 1.504(lit.)
• Boiling Point: 203.9 °C at 760 mmHg
• Flash Point: 77.3 °C
• PSA: 9.23000
• Density: 0.919 g/cm³
• LogP: 2.81860
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

4-Isopropylanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Isopropylanisole

There total 91 articles about 4-Isopropylanisole 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%

1-bromo-4-methoxy-benzene (104-92-7) + isopropyl zinc bromide (77047-87-1) → 1-methoxy-4-(1-methylethyl)benzene (4132-48-3)

Guidance literature:

With dichloro(1,3-bis(2,6-bis(3-pentyl)phenyl)imidazolin-2-ylidene)(3-chloropyridyl)palladium(II); In tetrahydrofuran; toluene; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.1039/c0cc04835f

Reference yield: 98.0%

4-Isopropylphenol (99-89-8) + methyl iodide (74-88-4) → 1-methoxy-4-(1-methylethyl)benzene (4132-48-3)

Guidance literature:

With potassium carbonate; In acetone; Heating;

DOI:10.1246/bcsj.76.1043

Reference yield: 95.0%

4-chloromethoxybenzene (623-12-1) + potassium trifluoro(isopropenyl)borate(1-) → 1-methoxy-4-(1-methylethyl)benzene (4132-48-3)

Guidance literature:

With C₂₅H₄₂ClPPd; potassium carbonate; In water; toluene; at 80 ℃; for 8h; Inert atmosphere;

DOI:10.1021/acscatal.5b00878

upstream raw materials:

1-isopropenyl-4-methoxybenzene

3-(4-methoxyphenyl)glutaric acid

propan-1-ol

methoxybenzene

Downstream raw materials:

2,3-bis(4-methoxyphenyl)-2,3-dimethylbutane

4-Isopropylphenol

isopropyl-4 cyclohexene-3 one-1

1-methoxy-4-(1'-methylethyl)cyclohexa-1,4-diene

Refernces

• 1、 Minami, Hiroko,Nogi, Keisuke,Yorimitsu, Hideki. "Nickel-Catalyzed Negishi-Type Arylation of Trialkylsulfonium Salts". supporting information. p. 1542 - 1546. Retrieved 2021/09/06.
• 2、 Dilauro, Giuseppe,Quivelli, Andrea Francesca,Vitale, Paola,Capriati, Vito,Perna, Filippo Maria. "Water and Sodium Chloride: Essential Ingredients for Robust and Fast Pd-Catalysed Cross-Coupling Reactions between Organolithium Reagents and (Hetero)aryl Halides". supporting information. p. 1799 - 1802. Retrieved 2019/01/25.