(2,2-Dimethoxyethyl)benzene

Base Information

• Chemical Name: (2,2-Dimethoxyethyl)benzene
• CAS No.: 101-48-4
• Molecular Formula: C10H14O2
• Molecular Weight: 166.22
• Hs Code.: 2911.00
• European Community (EC) Number: 202-945-6
• NSC Number: 5174
• UNII: P8C94L4MUR
• DSSTox Substance ID: DTXSID3047001
• Nikkaji Number: J82.120I
• Wikidata: Q27286370
• RXCUI: 2467130
• Metabolomics Workbench ID: 45654
• ChEMBL ID: CHEMBL3185401
• Mol file: 101-48-4.mol

Synonyms:Phenylacetaldehyde dimethyl acetal;101-48-4;(2,2-Dimethoxyethyl)benzene;Viridine;1,1-Dimethoxy-2-phenylethane;Hyscylene P;2,2-dimethoxyethylbenzene;BENZENE, (2,2-DIMETHOXYETHYL)-;Phenacetaldehyde dimethyl acetal;PADMA;2-Phenylacetaldehyde dimethyl acetal;2,2-Dimethoxy-1-phenylethane;Phenylacetic aldehyde dimethyl acetal;Acetaldehyde, phenyl-, dimethyl acetal;phenyl acetaldehyde dimethyl acetal;alpha-Tolyl aldehyde dimethyl acetal;FEMA No. 2876;PHENYLACETALDEHYDE DIMETHYLACETAL;alpha-Tolylaldehyde dimethyl acetal;Ethane, 1,1-dimethoxy-2-phenyl-;NSC 5174;EINECS 202-945-6;.alpha.-Tolylaldehyde dimethyl acetal;UNII-P8C94L4MUR;BRN 0879360;P8C94L4MUR;AI3-02444;DTXSID3047001;NSC-5174;4-07-00-00664 (Beilstein Handbook Reference);phenylacetaldehydedimethylacetal;Benzene,2-dimethoxyethyl)-;1,1-dimethoxy-2-phenylethan;SCHEMBL112281;(2,2-dimethoxyethyl)-benzene;phenylacetaldehyd-dimethylacetal;Ethane,1-dimethoxy-2-phenyl-;1,1-Dimethoxy-2-phenyl-Ethane;Benceno, (2,2-dimetoxietil)-;CHEMBL3185401;DTXCID1027001;WLN: 1OYO1 & 1R;FEMA 2876;WNJSKZBEWNVKGU-UHFFFAOYSA-;NSC5174;(2,2-Dimethoxyethyl)benzene, 9CI;Phenyl acetaldehyde, dimethyl acetal;Tox21_300675;BBL011496;MFCD00008487;STL146608;AKOS005721112;1,1 - dimethoxy - 2 - phenylethane;LS-3039;Phenylacetaldehyde dimethyl acetal, 97%;NCGC00248137-01;NCGC00254583-01;CAS-101-48-4;VS-02961;FT-0606126;P1161;Viridine [benzene (2,2-di-methoxy ethyl)];E79345;PHENYLACETALDEHYDE DIMETHYL ACETAL [FCC];PHENYLACETALDEHYDE DIMETHYL ACETAL [FHFI];Phenylacetaldehyde dimethyl acetal, >=98%, FCC;W-108914;Q27286370;1,1-dimethoxy-2-phenylethane

Chemical Property of (2,2-Dimethoxyethyl)benzene

Chemical Property:

• Appearance/Colour: clear colourless to pale yellowish liquid
• Vapor Pressure: 2.78hPa at 25℃
• Refractive Index: 1.4930 - 1.49750
• Boiling Point: 196.6 °C at 760 mmHg
• Flash Point: 83.9 °C
• PSA: 18.46000
• Density: 0.987 g/cm³
• LogP: 1.84800
• Storage Temp.: Store below +30°C.
• Water Solubility.: 3.9g/L at 20℃
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 104

Purity/Quality:

99.9% ^*data from raw suppliers

Phenylacetaldehyde Dimethyl Acetal >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25-S24/25-S23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of (2,2-Dimethoxyethyl)benzene

There total 67 articles about (2,2-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) + phenylacetaldehyde (122-78-1) → phenylacetaldehyde dimethyl acetal (101-48-4)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; at 20 ℃; for 18h; chemoselective reaction;

DOI:10.1080/00397911.2010.523156

Reference yield: 99.0%

C15H16O3S (89036-92-0) → phenylacetaldehyde dimethyl acetal (101-48-4)

Guidance literature:

toluene-4-sulfonic acid; In methanol; for 2h; Heating;

DOI:10.1016/S0040-4039(01)99830-2

Reference yield: 97.0%

methanol (67-56-1) + 1-(2-methoxyvinyl)benzene (4747-15-3) → phenylacetaldehyde dimethyl acetal (101-48-4)

Guidance literature:

With toluene-4-sulfonic acid; at 50 - 60 ℃; for 0.5h;

upstream raw materials:

methanol

1-(2-methoxyvinyl)benzene

cyclooctatetraene

(1R,6S,7S,8R)-7,8-dichlorobicyclo[4.2.0]octa-2,4-diene

Downstream raw materials:

3-methoxy-4-phenyl-butyric acid methyl ester

1-methoxy-2-phenylethane

1-(2-methoxyvinyl)benzene

2-cyclohexyl-1,1-dimethoxyethane

Refernces

• 1、 Lee, Seung Hwan,Lee, Ji Hee,Yoon, Cheol Min. "An efficient protection of carbonyls and deprotection of acetals using decaborane". . p. 2699 - 2703. Retrieved 2002.
• 2、 Nadon,L. et al.. "-". . p. 2366 - 2374. Retrieved 1973.
• 3、 Miyamoto, Kazunori,Yokota, Yukie,Suefuji, Takashi,Yamaguchi, Kentaro,Ozawa, Tomoyuki,Ochiai, Masahito. "Reactivity of hydroxy- and aquo(hydroxy)-λ3-iodane-crown ether complexes". . p. 5447 - 5453. Retrieved 2014.
• 4、 Ochiai, Masahito,Miyamoto, Kazunori,Yokota, Yukie,Suefuji, Takashi,Shiro, Motoo. "Synthesis, characterization, and reaction of crown ether complexes of aqua(hydroxy)(aryl)iodonium ions". . p. 75 - 78. Retrieved 2005.
• 5、 Norman,R.O.C.,Thomas,C.B.. "-". . p. 771 - 779. Retrieved 1967.
• 6、 Yusubov,Zholobova. "New preparative opportunities provided by iodosobenzene diacetate in reactions with alkenes". . p. 1179 - 1181. Retrieved 2001.
• 7、 Ganellin,Pettit. "-". . p. 576,580. Retrieved 1958.
• 8、 Mickelsen, Ky J.,Tajc, Chelsea M.,Greenwood, Kevin R.,Browder, Cindy C.. "Method for the selective formation of dimethyl acetals in the presence of hydroxylamine". . p. 186 - 194. Retrieved 2012.
• 9、 Pan, Liangkun,Ke, Zhihai,Yeung, Ying-Yeung. "Lewis Base Catalyzed Dioxygenation of Olefins with Hypervalent Iodine Reagents". supporting information. p. 8174 - 8178. Retrieved 2021/10/25.
• 10、 Bu, Faxiang,Hu, Xia,Lei, Aiwen,Lu, Lijun,Wang, Shengchun,Zhang, Heng. "Electrochemical oxidative decarboxylation and 1,2-aryl migration towards the synthesis of 1,2-diaryl ethers". . p. 10000 - 10004. Retrieved 2020/10/06.