Benzaldehyde, 4-(dipropylamino)-

Base Information

• Chemical Name: Benzaldehyde, 4-(dipropylamino)-
• CAS No.: 613-28-5
• Molecular Formula: C13H19 N O
• Molecular Weight: 205.3
• Hs Code.: 2922399090
• European Community (EC) Number: 210-334-0
• NSC Number: 156559
• UNII: RU88O0QKA9
• DSSTox Substance ID: DTXSID3060617
• Nikkaji Number: J69.899G
• Wikidata: Q81989142
• ChEMBL ID: CHEMBL5082115
• Mol file: 613-28-5.mol

Synonyms:4-(N,N-dipropylamino)benzaldehyde;4-DPAB

Chemical Property of Benzaldehyde, 4-(dipropylamino)-

Chemical Property:

• Vapor Pressure: 0.000188mmHg at 25°C
• Boiling Point: 328.6°C at 760 mmHg
• PKA: 2.35±0.32(Predicted)
• Flash Point: 118°C
• PSA: 20.31000
• Density: 1g/cm³
• LogP: 3.12550
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 205.146664230
• Heavy Atom Count: 15
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

4-(N,N'-Dipropylamino)-benzaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(CCC)C1=CC=C(C=C1)C=O

Technology Process of Benzaldehyde, 4-(dipropylamino)-

There total 8 articles about Benzaldehyde, 4-(dipropylamino)- 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: 89.2%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + N,N-dipropylaniline (2217-07-4) → 4-[N,N-bis(n-propyl)amino]benzaldehyde (613-28-5)

Guidance literature:

With trichlorophosphate; at 0 - 20 ℃;

DOI:10.1021/ja110766a

Reference yield: 65.0%

4-fluorobenzaldehyde (459-57-4) + di-n-propylamine (142-84-7) → 4-[N,N-bis(n-propyl)amino]benzaldehyde (613-28-5)

Guidance literature:

With Aliquat 336; potassium carbonate; at 95 ℃; for 92h;

DOI:10.1039/b301589k

Reference yield: 54.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 4-bromo-N,N-dipropylaniline (91935-18-1) → 4-[N,N-bis(n-propyl)amino]benzaldehyde (613-28-5)

Guidance literature:

4-bromo-N,N-dipropylaniline; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

DOI:10.1039/c8ta04901g

upstream raw materials:

hexamethylenetetramine

N,N-dipropylaniline

N,N-dimethyl-formamide

4-fluorobenzaldehyde

Downstream raw materials:

(E)-methyl 3-(4-(dipropylamino)phenyl)acrylate