3-(Naphthalen-1-yl)propanal

Base Information

• Chemical Name: 3-(Naphthalen-1-yl)propanal
• CAS No.: 53531-16-1
• Molecular Formula: C13H12O
• Molecular Weight: 184.238
• DSSTox Substance ID: DTXSID10452975
• Nikkaji Number: J2.798.673K
• Wikidata: Q82273910
• Mol file: 53531-16-1.mol

Synonyms:3-(naphthalen-1-yl)propanal;53531-16-1;3-naphthalen-1-ylpropanal;1-Naphthalenepropanal;3-(1-Naphthyl)propanal;SCHEMBL143458;3-(1-naphthyl)propionaldehyde;3-Naphthalen-1-ylpropionaldehyde;DTXSID10452975;3-naphthalen-1-yl-propionaldehyde;JBYOVYVITUEWAD-UHFFFAOYSA-N;AKOS011896310;CS-0270333;F50910;EN300-1827351

Chemical Property of 3-(Naphthalen-1-yl)propanal

Chemical Property:

• PSA: 17.07000
• LogP: 2.97130
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 184.088815002
• Heavy Atom Count: 14
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

3-(Naphthalen-1-yl)propanal 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2CCC=O

Technology Process of 3-(Naphthalen-1-yl)propanal

There total 25 articles about 3-(Naphthalen-1-yl)propanal 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: 97.6%

oxalyl dichloride (79-37-8) + 3-(Naphth-1-yl)propan-1-ol (27653-22-1) + ammonium chloride → 3-(naphthalen-1-yl)propanal (53531-16-1)

Guidance literature:

With triethylamine; In dichloromethane; dimethyl sulfoxide;

Reference yield: 97.0%

ethyl 3-(naphth-1-yl)propanoate (36818-50-5) → 3-(naphthalen-1-yl)propanal (53531-16-1)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; at -78 ℃;

DOI:10.1021/jo802783z

Reference yield: 85.0%

1-Naphthylboronic acid (13922-41-3) + allyl alcohol (107-18-6) → 3-(naphthalen-1-yl)propanal (53531-16-1)

Guidance literature:

With oxygen; palladium diacetate; copper(l) chloride; In dimethyl sulfoxide; at 50 ℃; for 20h; under 760.051 Torr; regioselective reaction;

DOI:10.1002/adsc.201100782

upstream raw materials:

3-[1]naphthyl-acrylaldehyde

3-(naphthalen-1-yl)propanenitrile

N-methoxy-N-methyl-3-(naphthalen-1-yl)propanamide

2-(2-naphthalen-1-yl-ethyl)-[1,3]dioxolane

Downstream raw materials:

1-n-propylnaphthalene

Refernces

• 1、 -. "ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF". . . Retrieved 2020/12/14.
• 2、 Qu, Bo,Tan, Renchang,Herling, Madison R.,Haddad, Nizar,Grinberg, Nelu,Kozlowski, Marisa C.,Zhang, Xumu,Senanayake, Chris H.. "Enantioselective Synthesis of 4-Methyl-3,4-dihydroisocoumarin via Asymmetric Hydroformylation of Styrene Derivatives". . p. 4915 - 4920. Retrieved 2019/03/19.