4-(Dimethylamino)benzophenone

Base Information

• Chemical Name: 4-(Dimethylamino)benzophenone
• CAS No.: 530-44-9
• Molecular Formula: C15H15NO
• Molecular Weight: 225.29
• Hs Code.: 29223900
• European Community (EC) Number: 208-478-4
• NSC Number: 28935,15962
• UNII: G8988HD9YE
• DSSTox Substance ID: DTXSID1060188
• Nikkaji Number: J79.645J
• Wikidata: Q27278927
• ChEMBL ID: CHEMBL1502306
• Mol file: 530-44-9.mol

Synonyms:4-(DIMETHYLAMINO)BENZOPHENONE;530-44-9;p-Dimethylaminobenzophenone;4-Dimethylaminobenzophenone;(4-(dimethylamino)phenyl)(phenyl)methanone;p-Benzoyl-N,N-dimethylaniline;Benzophenone, 4-(dimethylamino)-;4-benzoyl-N,N-dimethylaniline;4-N,N-Dimethylaminobenzophenone;p-(Dimethylamino)benzophenone;Methanone, [4-(dimethylamino)phenyl]phenyl-;[4-(dimethylamino)phenyl]-phenylmethanone;[4-(Dimethylamino)phenyl](phenyl)methanone;EINECS 208-478-4;NSC 15962;4-(dimethylamino)phenyl phenyl ketone;UNII-G8988HD9YE;G8988HD9YE;Methanone, (4-(dimethylamino)phenyl)phenyl-;NSC-15962;NSC-28935;(4-dimethylamino-phenyl)-phenyl-methanone;[4-(Dimethylamino)phenyl]phenylmethanone;(4-(DIMETHYLAMINO)PHENYL)PHENYLMETHANONE;4-dimethylamino-benzophenone;Oprea1_295432;SCHEMBL43585;MLS000564300;BIDD:GT0595;4-(dimethylamino)-benzophenone;CHEMBL1502306;DTXSID1060188;HMS1607I17;HMS2408D11;NSC15962;NSC28935;4-(Dimethylamino)benzophenone, 98%;BBL027707;CCG-46502;MFCD00008311;STL146478;AKOS001053239;N,N-DIMETHYL-P-AMINOBENZOPHENONE;P-DIMETHYLAMINOBENZOPHENONE [MI];NCGC00246075-01;AS-65378;SMR000151805;LS-183690;CS-0197262;D2561;EU-0066744;FT-0616759;[4-(Dimethylamino)phenyl](phenyl)methanone #;EN300-17355;Benzenamine,N,N-dimethyl-4-(phenylmethanone)-;D90083;A829361;AH-034/32471008;SR-01000389029;SR-01000389029-1;SR-01000389029-2;W-105779;BRD-K39777924-001-09-7;Q27278927;Z56922119;F0349-2872

Chemical Property of 4-(Dimethylamino)benzophenone

Chemical Property:

• Appearance/Colour: yellow crystalline powder or crystals
• Vapor Pressure: 1.22E-05mmHg at 25°C
• Melting Point: 88-90 °C(lit.)
• Refractive Index: 1.6
• Boiling Point: 369.05 °C at 760 mmHg
• PKA: 2.12±0.12(Predicted)
• Flash Point: 141.227 °C
• PSA: 20.31000
• Density: 1.096 g/cm³
• LogP: 2.98360
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: insoluble
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 225.115364102
• Heavy Atom Count: 17
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

4-(Dimethylamino)benzophenone >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
• Uses: 4-(Dimethylamino)benzophenone is an important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.

Technology Process of 4-(Dimethylamino)benzophenone

There total 86 articles about 4-(Dimethylamino)benzophenone 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%

4-(dimethylamino)phenyl(phenyl)methanol (7494-77-1) → 4-(Dimethylamino)benzophenone (530-44-9)

Guidance literature:

With palladium 10% on activated carbon; chlorobenzene; potassium hydroxide; In methanol; water; at 60 ℃; for 0.5h; Temperature; Inert atmosphere;

DOI:10.5012/bkcs.2011.32.8.3179

Reference yield: 96.0%

4-bromo-N,N-dimethylaniline (586-77-6) + benzonitrile (100-47-0) → 4-(Dimethylamino)benzophenone (530-44-9)

Guidance literature:

With bis(cyclopentadienyl)titanium dichloride; chloro-trimethyl-silane; [nickel(II)dichloride(dimethoxyethane)]; trifluoroacetic acid; 4,4'-di-tert-butyl-2,2'-bipyridine; zinc; In 1,4-dioxane; at 60 ℃; chemoselective reaction;

DOI:10.1021/acscatal.8b00244

Reference yield: 96.0%

formic acid (64-18-6) + 4-nitrobenzophenone (1144-74-7) → 4-(Dimethylamino)benzophenone (530-44-9)

Guidance literature:

With tetrakis(triphenylphosphine)platinum; phenylsilane; C₃₀H₅₁Cl₃Mo₃N₆PPtS₄⁽¹⁺⁾*BF₄^(1-); In tetrahydrofuran; at 70 ℃; under 760.051 Torr; chemoselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201702783

upstream raw materials:

N-phenyl benzoyl amide

4-(dimethylamino)benzamide

1,1-bis(4-dimethylaminophenyl)-1-phenyl-methanol

2-(4-(dimethylamino)benzoyl)benzoic acid

Downstream raw materials:

1-Phenyl-1-p-dimethylaminophenyl-propen

1-[4-(dimethylamino)phenyl]-1-phenylethene

1-[4-(dimethylamino)phenyl]-1-phenylethanol

4-(α,α-dichloro-benzyl)-N,N-dimethyl-aniline

Refernces

• 1、 Cohen et al.. "". . p. 5124,5127. Retrieved 1974.
• 2、 Lai, Samson,Lin, Wen Xuan,Perrin, David M.,Takaesu, Noah. "Suzuki coupling of aroyl-MIDA boronate esters – A preliminary report on scope and limitations". supporting information. . Retrieved 2021/05/31.
• 3、 Li, Jinpeng,Huang, Changyu,Wen, Daheng,Zheng, Qingshu,Tu, Bo,Tu, Tao. "Nickel-Catalyzed Amination of Aryl Chlorides with Amides". supporting information. p. 687 - 691. Retrieved 2021/01/09.