2-Amino-5-chloro-2'-fluorobenzophenone

Base Information

• Chemical Name: 2-Amino-5-chloro-2'-fluorobenzophenone
• CAS No.: 784-38-3
• Molecular Formula: C13H9ClFNO
• Molecular Weight: 249.672
• Hs Code.: 2922399090
• European Community (EC) Number: 212-316-8
• DSSTox Substance ID: DTXSID5057832
• Nikkaji Number: J144.040C
• Wikidata: Q72437652
• ChEMBL ID: CHEMBL3183508
• Mol file: 784-38-3.mol

Synonyms:2-Amino-5-chloro-2'-fluorobenzophenone;784-38-3;(2-Amino-5-chlorophenyl)(2-fluorophenyl)methanone;2-Amino-2'-fluoro-5-chlorobenzophenone;Methanone, (2-amino-5-chlorophenyl)(2-fluorophenyl)-;C13H9ClFNO;MFCD00038381;(2-amino-5-chlorophenyl)-(2-fluorophenyl)methanone;DTXSID5057832;EINECS 212-316-8;2-Amino-5-chloro-2 inverted exclamation mark -fluorobenzophenone;4-chloro-2-(2-fluorobenzoyl)aniline;SCHEMBL333224;(2-amino-5-chloro-phenyl)-(2-fluorophenyl)methanone;C13-H9-Cl-F-N-O;AMY615;CHEMBL3183508;DTXCID6031621;Tox21_113844;BBL010025;PC0492;STK711123;AKOS000120653;CS-W002172;2-Amino-5-chloro-2`-fluorobenzophenone;NCGC00253725-01;NCGC00253725-02;2-amino-5-chloro-2' -fluorobenzophenone;2-amino-5-chloro-2'-fluoro-benzophenone;2-Amino-5-chloro-2/'-fluorobenzophenone;2-Amino-5-chloro-2\'-fluorobenzophenone;AC-10738;AS-11859;CAS-784-38-3;SY016458;Benzophenone, 2-amino-5-chloro-2'-fluoro-;FT-0611155;EN300-18152;2-Amino-5-chloro-2'-fluorobenzophenone, 98%;A20918;AB01321091-02;SR-01000944771;SR-01000944771-1;W-104282;(2-Amino-5-chlorophenyl)(2-fluorophenyl)methanone #;Z57234195

Chemical Property of 2-Amino-5-chloro-2'-fluorobenzophenone

Chemical Property:

• Appearance/Colour: yellow fine powder
• Melting Point: 93-97 °C
• Boiling Point: 432.2 °C at 760 mmHg
• PKA: -1.05±0.10(Predicted)
• Flash Point: 215.2 °C
• PSA: 43.09000
• Density: 1.342 g/cm³
• LogP: 3.87350
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 249.0356698
• Heavy Atom Count: 17
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-5-chloro-2’-fluorobenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)N)F
• Uses: Employed in the syntheses of benzotriazepines1 and diazepam-related benzodiazepines.2 Flurazepam synthon A starting material for the synthesis of diazepam and other benzodiazepines

Technology Process of 2-Amino-5-chloro-2'-fluorobenzophenone

There total 10 articles about 2-Amino-5-chloro-2'-fluorobenzophenone 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: 94.0%

→ 2-amino-5-chloro-2'-fluorobenzophenone (784-38-3)

Guidance literature:

Reference yield: 64.0%

2-amino-5-chlorobenzonitrile (5922-60-1) + o-fluorophenylboronic acid (1993-03-9) → 2-amino-5-chloro-2'-fluorobenzophenone (784-38-3)

Guidance literature:

With 5,5'-dimethyl-2,2'-bipyridine; methanesulfonic acid; palladium(II) trifluoroacetate; water; In 2-methyltetrahydrofuran; at 80 ℃; for 36h; Schlenk technique;

DOI:10.1039/c4ob00978a

Reference yield: 59.0%

2-amino-5-chloro-α-(2-fluorophenyl)benzenemethanol (74173-87-8) → (2-amino-5-chlorophenyl)(2-fluorophenyl)methanol + 2-amino-5-chloro-2'-fluorobenzophenone (784-38-3)

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen; copper(II) bis(trifluoromethanesulfonate); (R)-1,1'-binaphthyl-2,2'-diamine; In toluene; at 80 ℃; for 18h; optical yield given as %ee;

DOI:10.1016/j.tetasy.2009.02.013

upstream raw materials:

flurazepam

4-chloro-aniline

2-Fluorobenzoyl chloride

2-amino-5-chloro-α-(2-fluorophenyl)benzenemethanol

Downstream raw materials:

C₁₇H₁₃Cl₂FN₂O₃

2?(2?bromoacetamido)?5?chloro?2'?fluorobenzophenone

4-chloro-2[2-(2-fluorophenyl)-1,3-dithiolan-2-yl]benzenamine

5-chloro-2-[(2,3-dihydroxypropyl)-amino]-fluorobenzophenone

Refernces

• 1、 Li, Peng-Hua,Yu, Liu-Zhu,Zhang, Xiao-Yu,Shi, Min. "Cu(I)-Catalyzed Coupling and Cycloisomerization of Diazo Compounds with Terminal Yne-Alkylidenecyclopropanes: Synthesis of Functionalized Cyclopenta[ b]naphthalene Derivatives". supporting information. p. 4516 - 4520. Retrieved 2018/08/09.
• 2、 Cortez-Maya,Cortes Cortes,Hernandez-Ortega,Apan, T. Ramirez,Martinez-Garcia. "Synthesis of 2-aminobenzophenone derivatives and their anticancer activity". experimental part. p. 46 - 54. Retrieved 2011/10/31.