Lorzafone

Base Information

• Chemical Name: Lorzafone
• CAS No.: 59179-95-2
• Molecular Formula: C18H17 Cl2 N3 O3
• Molecular Weight: 394.25
• UNII: BI9KI838VI
• DSSTox Substance ID: DTXSID30207909
• Nikkaji Number: J23.633K
• Wikidata: Q27274680
• NCI Thesaurus Code: C175810
• Metabolomics Workbench ID: 144624
• ChEMBL ID: CHEMBL36565
• Mol file: 59179-95-2.mol

Synonyms:2-(2-chlorobenzoyl)-4-chloro-N-methyl-N'-glycylglycinanilide;2-(2-chlorobenzoyl)-4-chloro-N-methyl-N'-glycylglycinanilide monooxalate;2-CBCMGGA;2-o-chlorobenzoyl-4-chloro-N-methyl-N'-glycyl-glycinanilide;4-chloro-2-(o-chlorobenzoyl)-N-methyl-N(alpha)-glycylglycinanilide;45-0088-S;peptido-aminobenzophenone

Chemical Property of Lorzafone

Chemical Property:

• Vapor Pressure: 6.86E-18mmHg at 25°C
• Boiling Point: 671.4°C at 760 mmHg
• PKA: 13.45±0.46(Predicted)
• Flash Point: 359.9°C
• PSA: 92.50000
• Density: 1.379±0.06 g/cm3(Predicted)
• LogP: 3.35330
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 393.0646968
• Heavy Atom Count: 26
• Complexity: 532

Purity/Quality:

99%, ^*data from raw suppliers

LORZAFONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl)C(=O)CNC(=O)CN
• Uses: Tranquilizer (minor).

Technology Process of Lorzafone

There total 17 articles about Lorzafone 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: 90.0%

4-chloro-2-(o-chlorobenzoyl)-N-methyl-Nα-(phthalylglycyl)glycinanilide (59180-18-6) → 4-chloro-2-(o-chlorobenzoyl)-N-methyl-Nα-glycylglycinanilide (59179-95-2)

Guidance literature:

With hydrazine hydrate; In ethanol; for 0.5h; Heating;

DOI:10.1021/jm00133a006

Reference yield: 68.0%

4-chloro-2-(o-chlorobenzoyl)-N-methyl-Nα-<(benzyloxycarbonyl)glycyl>glycinanilide (59179-98-5) → 4-chloro-2-(o-chlorobenzoyl)-N-methyl-Nα-glycylglycinanilide (59179-95-2)

Guidance literature:

With hydrogen bromide; In acetic acid; for 1.5h; Ambient temperature;

DOI:10.1021/jm00133a006

Reference yield: 29.0%

4-chloro-2-(o-chlorobenzoyl)-N-methyl-Nα-(iodoacetyl)glycinanilide (59180-43-7) → 4-chloro-2-(o-chlorobenzoyl)-N-methyl-Nα-glycylglycinanilide (59179-95-2)

Guidance literature:

With ammonia; In tetrahydrofuran; for 5h; Ambient temperature;

DOI:10.1021/jm00133a006

upstream raw materials:

4-chloro-2-(o-chlorobenzoyl)-N-methyl-N^α-(phthalylglycyl)glycinanilide

4-chloro-2-(o-chlorobenzoyl)-N-methyl-N^α-(iodoacetyl)glycinanilide

4-chloro-2-(o-chlorobenzoyl)-N-methyl-N^α-<(benzyloxycarbonyl)glycyl>glycinanilide

ethyl 5-chloro-3-(o-chlorophenyl)-indole-2-carboxylate

Downstream raw materials:

N-[4-Chloro-2-(2-chloro-benzoyl)-phenyl]-2-{2-(3,5-dibromo-2-hydroxy-phenyl)-4-[1-(3,5-dibromo-2-hydroxy-phenyl)-meth-(Z)-ylidene]-5-oxo-4,5-dihydro-imidazol-1-yl}-N-methyl-acetamide

Refernces

• 1、 Hirai,Ishiba,Sugimoto,Sasakura,Fujishita,Toyoda,Tsukinoki,Joyama,Hatakeyama,Hirose. "Peptidoaminobenzophenones, a novel class of ring-opened derivatives of 1,4-benzodiazepines". . p. 764 - 773. Retrieved 2007/10/02.