(3,3-Diethoxypropyl)benzene

Base Information

• Chemical Name: (3,3-Diethoxypropyl)benzene
• CAS No.: 6956-37-2
• Molecular Formula: C13H20 O2
• Molecular Weight: 208.301
• Hs Code.: 2911000000
• European Community (EC) Number: 230-141-5
• NSC Number: 65026
• UNII: JH38ETY7K7
• DSSTox Substance ID: DTXSID8064517
• Nikkaji Number: J265.997B
• Wikidata: Q63398762
• Mol file: 6956-37-2.mol

Synonyms:(3,3-Diethoxypropyl)benzene;6956-37-2;3,3-diethoxypropylbenzene;Hydrocinnamaldehyde, diethyl acetal;Benzene,(3,3-diethoxypropyl)-;Benzene, (3,3-diethoxypropyl)-;JH38ETY7K7;EINECS 230-141-5;NSC 65026;NSC-65026;NSC65026;UNII-JH38ETY7K7;Benzene,3-diethoxypropyl)-;hydrocinnamaldehyde diethylacetal;SCHEMBL5962154;DTXSID8064517;MFCD00871390;3-PHENYLPROPANAL DIETHYL ACETAL;Q63398762

Chemical Property of (3,3-Diethoxypropyl)benzene

Chemical Property:

• Vapor Pressure: 0.00468mmHg at 25°C
• Boiling Point: 285.9°C at 760 mmHg
• Flash Point: 101°C
• PSA: 18.46000
• Density: 0.956g/cm³
• LogP: 3.01830
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 208.146329876
• Heavy Atom Count: 15
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

(3,3-Diethoxypropyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(CCC1=CC=CC=C1)OCC

Technology Process of (3,3-Diethoxypropyl)benzene

There total 19 articles about (3,3-Diethoxypropyl)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: 100.0%

3-phenyl-propionaldehyde (104-53-0) + ethanol (64-17-5) + orthoformic acid triethyl ester (122-51-0) → (3,3-diethoxypropyl)benzene (6956-37-2)

Guidance literature:

With povidone-iodine; at 30 ℃; for 3h; Green chemistry;

DOI:10.1016/j.tet.2021.132250

Reference yield: 98.0%

3-phenyl-propionaldehyde (104-53-0) + Triethoxysilane (998-30-1) → (3,3-diethoxypropyl)benzene (6956-37-2)

Guidance literature:

With 1-diphenylphosphino-8-triphenylstibonium-naphthalene triflate; In neat liquid; at 20 ℃; for 0.16h; Inert atmosphere; Schlenk technique; Green chemistry;

DOI:10.1039/c6gc03629e

Reference yield: 97.0%

3-phenyl-propionaldehyde (104-53-0) + ethanol (64-17-5) → (3,3-diethoxypropyl)benzene (6956-37-2)

Guidance literature:

With thio-xanthene-9-one; for 1.5h; Irradiation; Sealed tube; Green chemistry;

DOI:10.1039/c8gc03605e

upstream raw materials:

3-chloro-1,1-diethoxy-propane

3,3-diethoxyl-1-phenylprop-1-ene

3-Cyclohexen-⁽¹⁾-yl-propin-⁽²⁾-al-⁽¹⁾-diethylacetal

3-phenyl-propionaldehyde

Downstream raw materials:

3-cyclohexyl-propionaldehyde diethylacetal

2-benzyl-3-dimethylamino-acrylaldehyde

(3-ethoxypent-1-yne-1,5-diyl)dibenzene

phenelmethylenemalonaldehyde

Refernces

• 1、 Kokotos, Christoforos G.,Nikitas, Nikolaos F.,Spiliopoulou, Nikoleta. "Photochemical synthesis of acetals utilizing Schreiner's thiourea as the catalyst". supporting information. p. 3539 - 3545. Retrieved 2020/06/25.
• 2、 Furuta, Miyu,Sugiyama, Kyoko,Yamaguchi, Minami,Ueda, Hirofumi,Tokuyama, Hidetoshi. "Synthesis of propargylic ethers by gold-mediated reaction of terminal alkynes with acetals". . p. 872 - 876. Retrieved 2019/08/20.