2-Phenylpropionaldehyde dimethyl acetal

Base Information

• Chemical Name: 2-Phenylpropionaldehyde dimethyl acetal
• CAS No.: 90-87-9
• Deprecated CAS: 130605-86-6
• Molecular Formula: C11H16 O2
• Molecular Weight: 180.247
• European Community (EC) Number: 202-022-8
• NSC Number: 46115
• UNII: H41WGL6C12
• DSSTox Substance ID: DTXSID6047109
• Nikkaji Number: J59.869K
• Wikidata: Q27279617
• Metabolomics Workbench ID: 45551
• ChEMBL ID: CHEMBL3186598
• Mol file: 90-87-9.mol

Synonyms:2-Phenylpropionaldehyde dimethyl acetal;90-87-9;1,1-Dimethoxy-2-phenylpropane;Hydratropic aldehyde dimethyl acetal;Hydratropaldehyde dimethyl acetal;2-Phenylpropanal dimethyl acetal;1,1-dimethoxypropan-2-ylbenzene;Hydrotropic aldehyde dimethyl acetal;(1,1-Dimethoxypropan-2-yl)benzene;2-Phenylpropanal dimethylacetal;Hydrotropaldehyde dimethyl acetal;BENZENE, (2,2-DIMETHOXY-1-METHYLETHYL)-;FEMA No. 2888;Hydratropaldehyde, dimethyl acetal;EINECS 202-022-8;NSC 46115;(2,2-Dimethoxy-1-methylethyl)benzene;2-Phenylpropionaldehyde-dimethyl acetal;BRN 2091958;UNII-H41WGL6C12;AI3-28635;alpha-Methylphenacetaldehyde dimethyl acetal;H41WGL6C12;DTXSID6047109;.alpha.-Methylphenacetaldehyde dimethyl acetal;NSC-46115;SCHEMBL113399;CHEMBL3186598;DTXCID4027109;CHEBI:169513;NSC46115;2-phenylpropionaldehyd-dimethylacetal;Tox21_302706;Benzene,2-dimethoxy-1-methylethyl)-;AKOS015890818;LS-3047;2-phenyl propionaldehyde dimethyl acetal;CAS-90-87-9;NCGC00256696-01;(2,2-Dimethoxy-1-methylethyl)benzene #;2 - phenylpropionaldehyde - dimethyl acetal;2-Phenylpropionaldehyde dimethyl acetal, 99%;2-PHENYLPROPIONALDEHYDE DIMETHYL ACETAL [FCC];2-PHENYLPROPIONALDEHYDE DIMETHYL ACETAL [FHFI];2-Phenylpropionaldehyde dimethyl acetal, >=97%, FCC;Q27279617;2-PHENYLPROPIONALDEHYDE DIMETHYL ACETAL, (+/-)-

Chemical Property of 2-Phenylpropionaldehyde dimethyl acetal

Chemical Property:

• Vapor Pressure: 0.123mmHg at 25°C
• Refractive Index: n20/D 1.493(lit.)
• Boiling Point: 226.4oC at 760 mmHg
• Flash Point: 92.2oC
• PSA: 18.46000
• Density: 0.971g/cm3
• LogP: 2.40900
• Water Solubility.: 3.484g/L at 24℃
• 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: 126

Purity/Quality:

99.9% ^*data from raw suppliers

2-Phenylpropionaldehyde dimethyl acetal ≥97%, FCC ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Phenylpropionaldehyde dimethyl acetal

There total 22 articles about 2-Phenylpropionaldehyde dimethyl acetal 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: 95.0%

1-propenylbenzene (873-66-5) + trimethyl orthoformate (149-73-5) → 2-phenylpropionaldehyde dimethyl acetal (90-87-9)

Guidance literature:

With iodine; lithium perchlorate; Ambient temperature; electrochemical oxidation;

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

Reference yield: 91.0%

1-iodo-2-methoxy-1-phenylpropane + methanol (67-56-1) → 2-phenylpropionaldehyde dimethyl acetal (90-87-9)

Guidance literature:

With boron trifluoride diethyl etherate; [bis(pyridine)iodine]⁺ tetrafluoroborate; In dichloromethane; at 20 ℃; for 0.0833333h;

DOI:10.1002/chem.200500070

Reference yield: 89.9%

methanol (67-56-1) + 2-Phenylpropanal (34713-70-7) → 2-phenylpropionaldehyde dimethyl acetal (90-87-9)

Guidance literature:

With sulfuric acid; for 0.25h; Ambient temperature;

upstream raw materials:

methanol

1-propenylbenzene

2-Phenylpropanal

1-phenyl-1-methoxy-2-phenylselenenyl propane

Refernces

• 1、 Liu, Huan,Liu, Lei,Guo, Wen-Di,Lu, Yong,Zhao, Xiao-Li,Liu, Ye. "Phosphine-ligated Ir(III)-complex as a bi-functional catalyst for one-pot tandem hydroformylation-acetalization". . p. 215 - 221. Retrieved 2019/04/17.
• 2、 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.