4-Cyclopropylanisole

Base Information

• Chemical Name: 4-Cyclopropylanisole
• CAS No.: 4030-17-5
• Molecular Formula: C10H12 O
• Molecular Weight: 148.205
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID90193314
• Nikkaji Number: J570.186D
• Wikidata: Q83066030
• Mol file: 4030-17-5.mol

Synonyms:4-cyclopropylanisole;p-cyclopropylanisole

Chemical Property of 4-Cyclopropylanisole

Chemical Property:

• Vapor Pressure: 0.121mmHg at 25°C
• Boiling Point: 226.7°Cat760mmHg
• Flash Point: 92.4°C
• PSA: 9.23000
• Density: 1.047g/cm³
• LogP: 2.57260
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

98%min ^*data from raw suppliers

1-cyclopropyl-4-methoxybenzene 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2CC2

Technology Process of 4-Cyclopropylanisole

There total 33 articles about 4-Cyclopropylanisole 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: 97.0%

4-chloromethoxybenzene (623-12-1) + cyclopropylboronic acid (411235-57-9) → 4-methoxyphenylcyclopropane (4030-17-5)

Guidance literature:

With bis[1-methylnaphthylpalladium(II) bromide]; potassium carbonate; tri tert-butylphosphoniumtetrafluoroborate; In water; toluene; at 80 ℃; for 11h;

DOI:10.1002/anie.202110450

Reference yield: 96.0%

1-bromo-4-methoxy-benzene (104-92-7) + cyclopropylboronic acid (411235-57-9) → 4-methoxyphenylcyclopropane (4030-17-5)

Guidance literature:

With potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)); cis,cis,cis-1,2,3,4-tetrakis (diphenylphosphinomethyl)cyclopentane; In xylene; at 130 ℃; for 20h;

DOI:10.1080/00397910500330833

Reference yield: 96.0%

potassium cyclopropyltrifluoroborate (1065010-87-8) + p-methoxyphenyl mesylate (19013-30-0) → 4-methoxyphenylcyclopropane (4030-17-5)

Guidance literature:

With potassium phosphate; palladium diacetate; ruphos; In water; tert-butyl alcohol; at 110 ℃; Inert atmosphere;

DOI:10.1021/jo2015246

upstream raw materials:

3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole

bis((1-methylcyclopropyl)formyl)peroxide

methoxybenzene

4-Methoxystyrene

Downstream raw materials:

1-methoxy-4-(1-phenylpropyl)benzene

3-(4-methoxyphenyl)propyl methyl ether

4-cyclopropylphenyl ethyl ether

4-Methoxy-3-nitrophenylcyclopropane

Refernces

• 1、 Doppiu, Angelino,Goo?en, Lukas J.,Hu, Zhiyong,Pirkl, Nico,Sivendran, Nardana. "Halogen-Bridged Methylnaphthyl Palladium Dimers as Versatile Catalyst Precursors in Coupling Reactions". supporting information. p. 25151 - 25160. Retrieved 2021/10/19.
• 2、 Gieuw, Matthew H.,Ke, Zhihai,Yeung, Ying-Yeung. "Lewis Base-Promoted Ring-Opening 1,3-Dioxygenation of Unactivated Cyclopropanes Using a Hypervalent Iodine Reagent". supporting information. p. 3782 - 3786. Retrieved 2018/03/13.