(Diethoxymethyl)benzene

Base Information

• Chemical Name: (Diethoxymethyl)benzene
• CAS No.: 774-48-1
• Molecular Formula: C11H16 O2
• Molecular Weight: 180.247
• Hs Code.: 2909309090
• European Community (EC) Number: 212-265-1
• NSC Number: 287
• UNII: 236M0R125W
• DSSTox Substance ID: DTXSID4061127
• Nikkaji Number: J79.949A
• Wikidata: Q27253721
• Mol file: 774-48-1.mol

Synonyms:(Diethoxymethyl)benzene;Benzaldehyde Diethyl Acetal;774-48-1;diethoxymethylbenzene;Benzene, (diethoxymethyl)-;Benzaldehyde diethylacetal;Benzaldehyde, diethyl acetal;alpha,alpha-Diethoxytoluene;Toluene, alpha,alpha-diethoxy-;UNII-236M0R125W;NSC 287;NSC-287;EINECS 212-265-1;236M0R125W;benzaldehyde dea;NSC287;(Diethoxymethyl)benzene #;ETHYL PHENYL ACETAL;DIETHOXYPHENYLMETHANE;Toluene,.alpha.-diethoxy-;SCHEMBL27191;alpha, alpha-Diethoxy Toluene;DTXSID4061127;DIETHYL BENZALDEHYDE ACETAL;MFCD00038525;Toluene, .alpha.,.alpha.-diethoxy-;AKOS022172374;AS-57967;B1893;CS-0207121;FT-0632937;D88872;A839096;Q27253721

Chemical Property of (Diethoxymethyl)benzene

Chemical Property:

• Vapor Pressure: 0.241mmHg at 25°C
• Melting Point: 260-262 °C
• Refractive Index: 1.4770-1.4800
• Boiling Point: 222 °C
• Flash Point: 64.5°C
• PSA: 18.46000
• Density: 1,57 g/cm3
• LogP: 2.75820
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 113

Purity/Quality:

98% ^*data from raw suppliers

Benzaldehyde Diethyl Acetal >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C1=CC=CC=C1)OCC

Technology Process of (Diethoxymethyl)benzene

There total 65 articles about (Diethoxymethyl)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%

ethanol (64-17-5) + benzaldehyde (100-52-7) → (diethoxymethyl)benzene (774-48-1)

Guidance literature:

With orthoformic acid triethyl ester; at 20 ℃; for 0.5h;

DOI:10.1080/00397910802219361

Reference yield: 98.0%

2-phenyl-1,3-oxathiolane (5721-88-0) + ethanol (64-17-5) → (diethoxymethyl)benzene (774-48-1)

Guidance literature:

With N-Bromosuccinimide; at 20 ℃; for 0.166667h;

DOI:10.1016/S0040-4020(02)00389-7

Reference yield: 96.0%

ethyl trifluoroacetate, (383-63-1) + sodium ethanolate (141-52-6) + benzaldehyde (100-52-7) → (diethoxymethyl)benzene (774-48-1)

Guidance literature:

In ethanol; at 20 ℃; Inert atmosphere;

DOI:10.1039/c8ob00017d

upstream raw materials:

benzylidene dichloride

sodium ethanolate

tetraethoxy orthosilicate

benzaldehyde

Downstream raw materials:

ethyl 3-ethoxy-3-phenylpropionate

2,15-diphenyl-1,3,14,16-tetrathia-cyclohexacosane

N-Methyl-N-<α-aethoxy-benzyl>-acetamid

1,3-Diaethoxy-2-brom-1-butoxy-3-phenyl-propan

Refernces

• 1、 Jia, Ai-Quan,Tang, Li-Hua,Dong, Xian-Ping,Xin, Zhifeng,Zhang, Qian-Feng. "Syntheses, structures and reactivity of dinuclear organoruthenium-nickel complexes with N,N′-bis(2-thiobenzylidene)-1,2-phenylenediaminato (tsalphen) ligand". . p. 23 - 28. Retrieved 2018.
• 2、 Da Silva, Márcio José,De Oliveira, Cesar Macedo. "Metal nitrate-catalyzed one-pot oxidative esterification of benzaldehyde with hydrogen peroxide in alcoholic solutions at room temperature". . p. 3683 - 3691. Retrieved 2021/03/03.
• 3、 Wang, Xinglin,Li, Yuanyuan,Li, Zhaohui. "Thiol-initiated photocatalytic oxidative cleavage of the C=C bond in olefins and its extension to direct production of acetals from olefins". . p. 1000 - 1006. Retrieved 2021/02/26.