1-(2,2-Dimethoxyethyl)-4-methylbenzene

Base Information

• Chemical Name: 1-(2,2-Dimethoxyethyl)-4-methylbenzene
• CAS No.: 42866-91-1
• Molecular Formula: C11H16 O2
• Molecular Weight: 180.247
• Hs Code.: 2911000000
• European Community (EC) Number: 255-976-2
• UNII: G6LP5A7L7A
• DSSTox Substance ID: DTXSID7068425
• Nikkaji Number: J70.248J
• Wikidata: Q81995156
• Mol file: 42866-91-1.mol

Synonyms:1-(2,2-Dimethoxyethyl)-4-methylbenzene;42866-91-1;p-(2,2-Dimethoxyethyl)toluene;p-(2,2-Dimethyloxyethyl)toluene;EINECS 255-976-2;G6LP5A7L7A;4-Methylphenylacetaldehyde dimethyl acetal;Benzene, 1-(2,2-dimethoxyethyl)-4-methyl-;UNII-G6LP5A7L7A;SCHEMBL9484637;DTXSID7068425;p - (2,2 - dimethoxyethyl)toluene;1,1-Dimethoxy-2-(4-methylphenyl)ethane;4-Methylphenylacetaldehyde dimethyl acetal, 95%

Chemical Property of 1-(2,2-Dimethoxyethyl)-4-methylbenzene

Chemical Property:

• Vapor Pressure: 0.173mmHg at 25°C
• Refractive Index: n20/D1.495
• Boiling Point: 219.8°Cat760mmHg
• Flash Point: 68.9°C
• PSA: 18.46000
• Density: 0.976g/cm³
• LogP: 2.15640
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 124

Purity/Quality:

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

4-Methylphenylacetaldehyde dimethyl acetal 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36/37/39-45

MSDS Files:

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1-(2,2-Dimethoxyethyl)-4-methylbenzene

There total 7 articles about 1-(2,2-Dimethoxyethyl)-4-methylbenzene 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%

methanol (67-56-1) + 1-ethenyl-4-methylbenzene (622-97-9,24936-41-2) → 2-(4-methylphenyl)acetaldehyde dimethyl acetal (42866-91-1)

Guidance literature:

With Pyridine-2,6-dicarboxylic acid; iron(II) tetrafluoroborate hexahydrate; [bis(acetoxy)iodo]benzene; at 20 ℃; for 20h; regioselective reaction; Molecular sieve; Inert atmosphere;

DOI:10.1039/c2cc17889c

Reference yield: 90.0%

1-(2-iodo-1-methoxyethyl)-4-methylbenzene (870695-06-0) + methanol (67-56-1) → 2-(4-methylphenyl)acetaldehyde dimethyl acetal (42866-91-1)

Guidance literature:

With boron trifluoride diethyl etherate; [bis(pyridine)iodine]⁺ tetrafluoroborate; In dichloromethane; at -10 ℃; for 0.0833333h;

DOI:10.1002/chem.200500070

Reference yield: 73.0%

1-ethenyl-4-methylbenzene (622-97-9,24936-41-2) + trimethyl orthoformate (149-73-5) → 2-(4-methylphenyl)acetaldehyde dimethyl acetal (42866-91-1)

Guidance literature:

With iodine; lithium perchlorate; Heating; electrochemical oxidation;

DOI:10.1016/S0040-4039(01)93772-4

upstream raw materials:

methanol

1-ethenyl-4-methylbenzene

3-chloro-3-(p-methylbenzyl)diazirine

trimethyl orthoformate

Downstream raw materials:

1-(1-bromo-2,2-dimethoxy-ethyl)-4-methyl-benzene

Refernces

• 1、 Peraka, Swamy,Mameda, Naresh,Marri, Mahender Reddy,Kodumuri, Srujana,Chevella, Durgaiah,Sripadi, Prabhakar,Nama, Narender. "Hypoiodous acid-catalyzed regioselective geminal addition of methanol to vinylarenes: synthesis of anti-Markovnikov methyl acetals". . p. 73732 - 73736. Retrieved 2015/09/15.
• 2、 Zhang, Xin,Corma, Avelino. "Effective Au(III)-CuCl2-catalyzed addition of alcohols to alkenes". . p. 3080 - 3082. Retrieved 2008/02/10.