3-(Dimethylamino)propiophenone

Base Information

• Chemical Name: 3-(Dimethylamino)propiophenone
• CAS No.: 3506-36-3
• Molecular Formula: C11H15 N O
• Molecular Weight: 177.246
• Hs Code.: 2922399090
• European Community (EC) Number: 222-502-0
• UNII: 844YA6J34K
• DSSTox Substance ID: DTXSID50188564
• Nikkaji Number: J31.085I
• Wikidata: Q72469187
• ChEMBL ID: CHEMBL50115
• Mol file: 3506-36-3.mol

Synonyms:3-(dimethylamino)-1-phenylpropan-1-one;3506-36-3;3-(Dimethylamino)propiophenone;beta-(Dimethylamino)propiophenone;2-Benzylethyldimethylamine;1-Propanone, 3-(dimethylamino)-1-phenyl-;3-(Dimethylamino)-1-phenyl-1-propanone;Propiophenone, 3-(dimethylamino)-;EINECS 222-502-0;Phenyl beta-dimethylaminoethyl ketone;BRN 0879323;beta-Dimethylaminopropiophenone;CHEMBL50115;844YA6J34K;3-dimethylamino-1-phenylpropan-1-one;4-14-00-00148 (Beilstein Handbook Reference);NSC-89;NSC629913;Propiophenone,;3-Dimethylamino-1-phenyl-propan-1-one;Enamine_005877;3-dimethylaminopropiophenone;Cambridge id 5102394;3-dimethylamino propiophenone;CBDivE_001904;3-dimethylaminopropionylbenzene;SCHEMBL941089;UNII-844YA6J34K;dimethyl-beta-benzoyl-ethylamine;QMNXJNURJISYMS-UHFFFAOYSA-;DTXSID50188564;HMS1410L03;3-Dimethylamino-1-phenyl-propanone;3-(N,N-dimethylamino)propiophenone;BDBM50036731;STK085127;AKOS000118057;IDI1_008112;NCGC00342426-01;3-(dimethylamino)-1-phenyl-propan-1-one;NCI60_041977;.BETA.-(DIMETHYLAMINO)PROPIOPHENONE;3-(Dimethylamino)-1-phenyl-1-propanone #;LS-125178;FT-0709217;.BETA.-N,N'-DIMETHYLAMINOPROPIOPHENONE;AB01220874-03;1-Propanone, 3-(dimethylamino)-1-phenyl- (9CI);Z56755624;2-ACETYLAMINO-3-(4-CYANO-PHENYL)-PROPIONICACID

Chemical Property of 3-(Dimethylamino)propiophenone

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Melting Point: 31-33 °C
• Boiling Point: 267.5°Cat760mmHg
• PKA: 8.81±0.28(Predicted)
• Flash Point: 91.6°C
• PSA: 20.31000
• Density: 0.997g/cm³
• LogP: 2.62300
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 177.115364102
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

98%min ^*data from raw suppliers

3-(Dimethylamino)-1-phenylpropan-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(Dimethylamino)propiophenone

There total 27 articles about 3-(Dimethylamino)propiophenone 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: 97.0%

3-(dimethylamino)propiophenone hydrochloride (879-72-1) → 3-dimethylaminopropiophenone (3506-36-3)

Guidance literature:

With sodium hydroxide; In water; at 0 - 5 ℃; pH=10;

DOI:10.1016/S0040-4020(02)00091-1

Reference yield: 95.0%

3-dimethylaminopropiononitrile (1738-25-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 3-dimethylaminopropiophenone (3506-36-3)

Guidance literature:

3-dimethylaminopropiononitrile; benzene; With trifluorormethanesulfonic acid; In dichloromethane; at 60 - 80 ℃; Inert atmosphere;

With water; In dichloromethane; Inert atmosphere; Cooling with ice;

With sodium hydroxide; In water; Inert atmosphere;

DOI:10.1016/j.tet.2011.04.038

Reference yield: 83.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N,N-dimethylammonium chloride (506-59-2) + acetophenone (98-86-2) → 3-dimethylaminopropiophenone (3506-36-3)

Guidance literature:

With hydrogenchloride; In ethanol; for 2h; Heating;

DOI:10.1055/s-2003-40508

upstream raw materials:

N,N-dimethyl-3-phenyl-2-propyn-1-amine

dimethyl amine

Phenyl vinyl ketone

formaldehyd

Downstream raw materials:

ethyl 5-phenyl-2-acetyl-5-oxopentanoate

4-nitro-1-phenyl-hexan-1-one

3-dimethylamino-1,1-diphenyl-propan-1-ol

3-(N-hydroxy-anilino)-1-phenyl-propan-1-one

Refernces

• 1、 Fu, Rui,Liu, Yu,Wu, Tao,Zhang, Xinyu,Zhu, Yang,Luo, Jiangbin,Zhang, Zhengyu,Jiang, Yaojia. "Metal-free synthesis of β-aminoketones by the reductive hydroamination of ynones". supporting information. p. 3525 - 3528. Retrieved 2022/03/31.
• 2、 -. "SMALL MOLECULE CMKLR1 ANTAGONISTS IN INFLAMMATORY DISEASE". Paragraph 0199; 0230; 0232; 0241. . Retrieved 2020/12/01.