5-Chloro-2-(methylamino)benzophenone

Base Information

• Chemical Name: 5-Chloro-2-(methylamino)benzophenone
• CAS No.: 1022-13-5
• Molecular Formula: C14H12ClNO
• Molecular Weight: 245.708
• Hs Code.: 2922399090
• European Community (EC) Number: 213-822-1
• UNII: D4GD5770PI
• DSSTox Substance ID: DTXSID4061416
• Nikkaji Number: J859A
• Wikidata: Q27276093
• Mol file: 1022-13-5.mol

Synonyms:2-(N-methylamino)-5-chlorobenzophenone;2-MACB;2-methylamino-5-chlorobenzophenone

Chemical Property of 5-Chloro-2-(methylamino)benzophenone

Chemical Property:

• Appearance/Colour: yellow crystalline powder
• Vapor Pressure: 2.51E-07mmHg at 25°C
• Melting Point: 93-95 °C(lit.)
• Refractive Index: 1.627
• Boiling Point: 421.9 °C at 760 mmHg
• PKA: pKa 1.45±0.04(7% EtOH in H2O,t =25,0.02 to 0.40M in HCl) (Uncertain)
• Flash Point: 209 °C
• PSA: 29.10000
• Density: 1.234 g/cm³
• LogP: 3.68570
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly), Methanol (Ve
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 245.0607417
• Heavy Atom Count: 17
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-2-(methylamino)benzophenone ^*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: CNC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2
• Uses: 5-Chloro-2-(methylamino)benzophenone is an impurity of 1,4- Temazepam (T017200) as well as a decompoition product of Diazepam and other 1,4-benzodiazepine derivatives. 5-Chloro-2-(methylamino)benzophenone was used in the simultaneous determination of hydrazine and benzylhydrazine in isocarboxazid raw material and tablet formulations by gas chromatography.

Technology Process of 5-Chloro-2-(methylamino)benzophenone

There total 61 articles about 5-Chloro-2-(methylamino)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: 100.0%

5-chloro-2-aminobenzophenone (719-59-5) + dimethyl sulfate (77-78-1) → 5-chloro-2-(methylamino)benzophenone (1022-13-5)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In tetrahydrofuran; at 60 ℃; for 1h;

DOI:10.1055/s-1981-29477

Reference yield: 98.0%

2-(N-acethyl-N-methylamino)-5-chlorobenzophenone (36271-03-1) → 5-chloro-2-(methylamino)benzophenone (1022-13-5)

Guidance literature:

With sulfuric acid; In ethanol; Heating;

DOI:10.1007/s11176-005-0037-0

Reference yield: 97.7%

N-methyl-3-phenyl-5-chloroanthranil methosulfate (28195-03-1) → 5-chloro-2-(methylamino)benzophenone (1022-13-5)

Guidance literature:

With hydrazine hydrate; zinc(II) chloride; In water; at 20 - 30 ℃; for 4h; Temperature;

upstream raw materials:

trimethylsilyl iodide

N-methyl-3-phenyl-5-chloroanthranil methosulfate

5-Chlor-2--benzophenon

2-Amino-N-(2-benzoyl-4-chlorphenyl)-N-methyl-acetamid

Downstream raw materials:

2-(N-methylamino)-3,5-dichlorobenzophenone

(2-amino-3,5-dichloro-phenyl)-phenyl-methanone

(5-chloro-2-(dimethylamino)phenyl)(phenyl)methanone

2,4-dichloroacridin-9-(10H)-one

Refernces

• 1、 Cox, Philip J.,Anisuzzaman, Abu T. Md.,Skellern, Graham G.,Pryce-Jones, R. Howard,Florence, Alastair J.,Shankland, Norman. "2-methylamino-5-chlorobenzophenone". . p. 476 - 477. Retrieved 1997.
• 2、 Popova,Kulikov,Piotrovskii. "Formation of 6-chloro-4-phenyl-2-quinolone in reaction of dimethyl sulfate with 2-(acetylamino)-5-chlorobenzophenone under phase-transfer conditions [7]". . p. 1467 - 1468. Retrieved 2004.
• 3、 Yang, Shen K.. "Mechanism of Alkaline Hydrolysis of Diazepam". . p. 277 - 284. Retrieved 1998.
• 4、 Moro,Novillo-Fertrell,Velazquez,Rodriguez. "Kinetics of the acid hydrolysis of diazepam, bromazepam, and flunitrazepam in aqueous and micellar systems". . p. 459 - 468. Retrieved 1991.
• 5、 Li, Jie,Tan, Eric,Keller, Niklas,Chen, Yi-Hung,Zehetmaier, Peter M.,Jakowetz, Andreas C.,Bein, Thomas,Knochel, Paul. "Cobalt-Catalyzed Electrophilic Aminations with Anthranils: An Expedient Route to Condensed Quinolines". supporting information. p. 98 - 103. Retrieved 2019/01/08.
• 6、 -. "Preparation method of diazepam intermediate". Paragraph 0021; 0022; 0023; 0024; 0025. . Retrieved 2018/07/30.