1,1-Dimethoxy-3-phenylpropane

Base Information

• Chemical Name: 1,1-Dimethoxy-3-phenylpropane
• CAS No.: 30076-98-3
• Molecular Formula: C11H16 O2
• Molecular Weight: 180.247
• Hs Code.: 2911000000
• European Community (EC) Number: 250-027-9
• NSC Number: 46114
• UNII: 5FNP361AO4
• DSSTox Substance ID: DTXSID00184157
• Nikkaji Number: J249.912F
• Wikidata: Q63398703
• Mol file: 30076-98-3.mol

Synonyms:1,1-Dimethoxy-3-phenylpropane;30076-98-3;(3,3-Dimethoxypropyl)benzene;Benzene, (3,3-dimethoxypropyl)-;3,3-dimethoxypropylbenzene;5FNP361AO4;EINECS 250-027-9;NSC-46114;NSC46114;Hydrozimtaldehyddimethylacetal;UNII-5FNP361AO4;SCHEMBL873038;(3,3-Dimethoxypropyl)benzene #;DTXSID00184157;[3,3-bis(methyloxy)propyl]benzene;NSC 46114;STK064549;AKOS005388208;3-PHENYLPROPANAL DIMETHYL ACETAL;DIHYDROCINNAMALDEHYDE DIMETHYL ACETAL;3-PHENYLPROPIONALDEHYDE DIMETHYL ACETAL;Q63398703

Chemical Property of 1,1-Dimethoxy-3-phenylpropane

Chemical Property:

• Vapor Pressure: 0.0354mmHg at 25°C
• Boiling Point: 249.9°Cat760mmHg
• Flash Point: 89°C
• PSA: 18.46000
• Density: 0.974g/cm³
• LogP: 2.23810
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CCC1=CC=CC=C1)OC

Technology Process of 1,1-Dimethoxy-3-phenylpropane

There total 27 articles about 1,1-Dimethoxy-3-phenylpropane 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) + methanol (67-56-1) + trimethyl orthoformate (149-73-5) → (3,3-dimethoxypropyl)benzene (30076-98-3)

Guidance literature:

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

DOI:10.1016/j.tet.2021.132250

Reference yield: 100.0%

(E)-3-phenylpropenal (14371-10-9) + methanol (67-56-1) → (3,3-dimethoxypropyl)benzene (30076-98-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; at 20 ℃; for 18h;

DOI:10.1002/ejoc.200700627

Reference yield: 99.0%

3-phenyl-propionaldehyde (104-53-0) + methanol (67-56-1) → (3,3-dimethoxypropyl)benzene (30076-98-3)

Guidance literature:

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

DOI:10.1080/00397911.2010.523156

upstream raw materials:

3-methoxy-3-phenyl-propionaldehyde dimethylacetal

cinnamaldehyde dimethylacetal

3-phenyl-propionaldehyde

methanol

Downstream raw materials:

5-Methoxy-3-oxo-7-phenyl-heptanoic acid methyl ester

(E)-5-Isopropoxy-7-phenyl-hept-2-enal

(E)-5-Methoxy-7-phenyl-hept-2-enal

(3-(methyloxy)hex-5-en-1-yl)benzene