3-(Dimethylamino)benzaldehyde

Base Information

• Chemical Name: 3-(Dimethylamino)benzaldehyde
• CAS No.: 619-22-7
• Molecular Formula: C9H11NO
• Molecular Weight: 149.192
• Hs Code.: 2922399090
• DSSTox Substance ID: DTXSID40275093
• Nikkaji Number: J76.656I
• Wikidata: Q72468829
• Mol file: 619-22-7.mol

Synonyms:3-(dimethylamino)benzaldehyde;619-22-7;3-dimethylaminobenzaldehyde;3-N,N-Dimethylbenzaldehyde;Benzaldehyde, 3-(dimethylamino)-;m-dimethylaminobenzaldehyde;MFCD05148649;3-dimethylamino-benzaldehyde;SCHEMBL1039994;DTXSID40275093;3-(N,N-Dimethylamino)benzaldehyde;AMY28511;AKOS005266424;DS-13667;SY025191;CS-0028225;FT-0648041;EN300-221463;F16876;A833485;J-510874;Z1079442658

Chemical Property of 3-(Dimethylamino)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.0128mmHg at 25°C
• Boiling Point: 259.7oC at 760 mmHg
• PKA: 3.67±0.10(Predicted)
• Flash Point: 99.1oC
• PSA: 20.31000
• Density: 1.072g/cm3
• LogP: 1.56510
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

97% ^*data from raw suppliers

3-(Dimethylamino)benzaldehyde 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=CC(=C1)C=O

Technology Process of 3-(Dimethylamino)benzaldehyde

There total 20 articles about 3-(Dimethylamino)benzaldehyde 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: 98.0%

3-dimethylaminobenzyl alcohol (23501-93-1) → 3-(dimethylamino)benzaldehyde (619-22-7)

Guidance literature:

3-dimethylaminobenzyl alcohol; With oxalyl dichloride; In dichloromethane; dimethyl sulfoxide; at -78 ℃; for 0.416667h;

With triethylamine; In dichloromethane; dimethyl sulfoxide; at -78 - 20 ℃; for 0.5h;

DOI:10.1021/acs.jmedchem.8b00610

Reference yield: 97.0%

3-bromo-N,N-dimethylaniline (16518-62-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-(dimethylamino)benzaldehyde (619-22-7)

Guidance literature:

3-bromo-N,N-dimethylaniline; With n-butyllithium; In diethyl ether; hexane; at 0 ℃; for 0.5h;

N,N-dimethyl-formamide; In diethyl ether; hexane; at 0 ℃; for 0.0833333h; Further stages.;

DOI:10.1039/b711620a

Reference yield: 91.0%

3-Dimethylamino-N,N-diethyl-benzamide (143024-52-6) → 3-(dimethylamino)benzaldehyde (619-22-7)

Guidance literature:

With zirconocene dichloride; lithium tri-t-butoxyaluminum hydride; In tetrahydrofuran; at 20 ℃; for 0.0333333h; Inert atmosphere;

DOI:10.1021/ol403183a

upstream raw materials:

3-formyl-N,N,N-trimethyl-benzenaminium iodide

m-(N,N-dimethylamino)benzaldehyde dimethylacetal

dimethyl sulfate

3-dimethylaminobenzyl alcohol

Downstream raw materials:

2-(3-dimethylamino-trans-styryl)-1-methyl-quinolinium; iodide

(3-dimethylamino-phenyl)-bis-(4-dimethylamino-phenyl)-methane

(E)-3-(3-(dimethylamino)phenyl)-1-phenylprop-2-en-1-one