1-Isopropyl-2-methoxybenzene

Base Information

• Chemical Name: 1-Isopropyl-2-methoxybenzene
• CAS No.: 2944-47-0
• Molecular Formula: C10H14 O
• Molecular Weight: 150.221
• Hs Code.: 2909309090
• NSC Number: 113123
• DSSTox Substance ID: DTXSID90951956
• Nikkaji Number: J308.142G
• Wikidata: Q72485753
• Mol file: 2944-47-0.mol

Synonyms:2-Isopropylanisole;1-Isopropyl-2-methoxybenzene;2944-47-0;o-Isopropylanisole;Benzene, 1-methoxy-2-(1-methylethyl)-;Anisole, o-isopropyl-;1-methoxy-2-propan-2-ylbenzene;1-methoxy-2-(propan-2-yl)benzene;2-(o-Methoxyphenyl)propane;Isopropylanisol;isopropyl anisole;O-iso-propylanisole;NSC113123;2-methoxyisopropyl-benzene;2-Isopropylanisole, 98%;SCHEMBL141647;1-Isopropyl-2-methoxybenzene #;DTXSID90951956;CAA94447;MFCD00798590;AKOS008949013;NSC-113123;s11896;AC-17929;AS-63145;CS-0154273;EN300-342155;A876460;J-017516;InChI=1/C10H14O/c1-8(2)9-6-4-5-7-10(9)11-3/h4-8H,1-3H

Chemical Property of 1-Isopropyl-2-methoxybenzene

Chemical Property:

• Vapor Pressure: 0.328mmHg at 25°C
• Refractive Index: n20/D 1.508(lit.)
• Boiling Point: 198-200 °C(lit.)
• Flash Point: 187 °F
• PSA: 9.23000
• Density: 0.936 g/mL at 25 °C(lit.)
• LogP: 2.81860
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 109

Purity/Quality:

98%min ^*data from raw suppliers

2-Isopropylanisole 98% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C1=CC=CC=C1OC
• Uses: 2-Isopropylanisole is the startind material in thesynthesis of (±)-shonanyl methyl ether and (±)-ferruginyl methyl ether. 2-Isopropylanisole may be used in the preparation of 4-bromo-2-isopropylanisole via bromination using lithium bromide/ammonium cerium(IV) nitrate system. It may also be used as a starting material in the multi-synthesis of (±)-shonanyl methyl ether.

Technology Process of 1-Isopropyl-2-methoxybenzene

There total 48 articles about 1-Isopropyl-2-methoxybenzene 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: 100.0%

2-(1-methylethyl)phenol (88-69-7) + methyl iodide (74-88-4) → o-isopropylanisole (2944-47-0)

Guidance literature:

2-(1-methylethyl)phenol; With sodium hydride; In hexane; N,N-dimethyl-formamide; at 0 - 20 ℃; Inert atmosphere;

methyl iodide; In hexane; N,N-dimethyl-formamide; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2017.03.022

Reference yield: 95.0%

1-bromo-2-isopropylbenzene (7073-94-1) + sodium methylate (124-41-4) → o-isopropylanisole (2944-47-0)

Guidance literature:

With methanol; Methyl formate; copper(l) chloride; at 115 ℃; for 7h; Autoclave; Green chemistry;

DOI:10.1007/s11164-014-1917-x

Reference yield: 93.0%

2-(1-methylethyl)phenol (88-69-7) + dimethyl sulfate (77-78-1) → o-isopropylanisole (2944-47-0)

Guidance literature:

With sodium hydroxide; In water; at 90 ℃; for 4h;

DOI:10.1021/np5001158

upstream raw materials:

2-(1-methylethyl)phenol

2-(2-methoxyphenyl)propene

2-(2'-methoxyphenyl)-2-propanol

propan-1-ol

Downstream raw materials:

2-(1-methylethyl)phenol

2-isopropylcyclohexanone

6-isopropylcyclohex-2-en-1-one

β-dibromo-3-isopropyl-4-methoxystyrene

Refernces

• 1、 Amandi, Rodrigo,Licence, Peter,Ross, Stephen K.,Aaltonen, Olli,Poliakoff, Martyn. "Friedel-Crafts alkylation of anisole in supercritical carbon dioxide: A comparative study of catalysts". . p. 451 - 456. Retrieved 2005.
• 2、 Itami, Kenichiro,Saito, Yutaro,Segawa, Yasutomo,Yamanoue, Kotono. "Selective Transformation of Strychnine and 1,2-Disubstituted Benzenes by C–H Borylation". supporting information. p. 985 - 993. Retrieved 2020/04/10.
• 3、 Ohmura, Toshimichi,Kusaka, Satoshi,Torigoe, Takeru,Suginome, Michinori. "Iridium-Catalyzed C(sp3)?H Addition of Methyl Ethers across Intramolecular Carbon–Carbon Double Bonds Giving 2,3-Dihydrobenzofurans". . p. 4448 - 4453. Retrieved 2019/09/16.