(1,1-Dimethoxyethyl)benzene

Base Information

• Chemical Name: (1,1-Dimethoxyethyl)benzene
• CAS No.: 4316-35-2
• Molecular Formula: C10H14 O2
• Molecular Weight: 166.22
• Hs Code.: 2911000000
• European Community (EC) Number: 224-334-3
• UNII: 36S57738FA
• DSSTox Substance ID: DTXSID9063407
• Nikkaji Number: J205.700J
• Wikidata: Q63395872
• Mol file: 4316-35-2.mol

Synonyms:(1,1-Dimethoxyethyl)benzene;4316-35-2;Acetophenone dimethyl acetal;1,1-dimethoxyethylbenzene;Benzene, (1,1-dimethoxyethyl)-;EINECS 224-334-3;36S57738FA;dimethoxyphenylethane;acetophenone dimethyl ketal;SCHEMBL204375;DTXSID9063407;UNII-36S57738FA;AMY38264;(1,1-Dimethoxyethyl)benzene, 97%;MFCD00075617;1,1-DIMETHOXY-1-PHENYLETHANE;AKOS015889212;CS-0332307;FT-0735647;ETHANONE, 1-PHENYL-, DIMETHYL ACETAL;D87768;Q63395872

Chemical Property of (1,1-Dimethoxyethyl)benzene

Chemical Property:

• Vapor Pressure: 0.16mmHg at 25°C
• Melting Point: 58-60 °C
• Refractive Index: n20/D 1.49(lit.)
• Boiling Point: 95-98 °C12 mm Hg(lit.)
• Flash Point: 152 °F
• PSA: 18.46000
• Density: 1.008 g/mL at 25 °C(lit.)
• LogP: 2.15210
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 124

Purity/Quality:

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

(1,1-Dimethoxyethyl)benzene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

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

Technology Process of (1,1-Dimethoxyethyl)benzene

There total 37 articles about (1,1-Dimethoxyethyl)benzene 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%

methanol (67-56-1) + acetophenone (98-86-2) → acetophenone dimethyl acetal (4316-35-2)

Guidance literature:

With trimethyl orthoformate; at 20 ℃; for 4h;

DOI:10.1080/00397910802219361

Reference yield: 94.0%

methanol (67-56-1) + phenylacetylene (536-74-3) → acetophenone dimethyl acetal (4316-35-2)

Guidance literature:

With Co(TPFPP)NTf₂.2C₂H₅OH; bis(trifluoromethanesulfonyl)amide; at 70 ℃; Reagent/catalyst; Temperature; Catalytic behavior; Sealed tube;

DOI:10.1248/cpb.c17-00568

Reference yield: 82.0%

benzophenone (119-61-9) + trimethyl orthoformate (149-73-5) → acetophenone dimethyl acetal (4316-35-2)

Guidance literature:

With Montmorillonite clay KSF; at 70 ℃; for 0.166667h; Irradiation;

DOI:10.1016/S0040-4039(97)10149-6

upstream raw materials:

methanol

formimidomethylester hydrochloride

acetophenone

trimethyl orthoformate

Downstream raw materials:

α-methoxystyrene

2-phenyl-4-methyl-3-oxa-pentadiene-1,4

1-(1-Methoxy-1-phenyl-ethyl)-1H-benzotriazole

(4R,5R)-2-phenyl-2-methyl-4,5-bis(methoxycarbonyl)-1,3-dioxolane

Refernces

• 1、 Richard, John P.,Williams, Kathleen B.,Amyes, Tina L.. "Intrinsic barriers for the reactions of an oxocarbenium ion in water". . p. 8403 - 8404. Retrieved 1999.
• 2、 Suga, Takuya,Nakamura, Masaharu,Takada, Ryusei,Ukaji, Yutaka. "Conjugate addition of acetal-derived benzyl radicals generated from low-valent titanium-mediated CO bond cleavage". supporting information. p. 1258 - 1260. Retrieved 2021/05/17.
• 3、 Rossolini, Thomas,Ferko, Branislav,Dixon, Darren J.. "Photocatalytic Reductive Formation of α-Tertiary Ethers from Ketals". supporting information. p. 6668 - 6673. Retrieved 2019/09/03.