Benzoyl leuco methylene blue

Base Information

• Chemical Name: Benzoyl leuco methylene blue
• CAS No.: 1249-97-4
• Deprecated CAS: 28348-67-6,82457-91-8,82457-91-8
• Molecular Formula: C23H23 N3 O S
• Molecular Weight: 389.521
• Hs Code.: 29349990
• European Community (EC) Number: 215-005-5
• NSC Number: 11881
• DSSTox Substance ID: DTXSID3061639
• Nikkaji Number: J52.288K
• Wikidata: Q81989581
• ChEMBL ID: CHEMBL275177
• Mol file: 1249-97-4.mol

Synonyms:Benzoyl leuco methylene blue;1249-97-4;Benzoylleukomethylene blue;Methylene blue leucobenzoyl;N-Benzoylleucomethylene Blue;Benzoylleucomethyleneblue;NSC 11881;10-Benzoyl-3,7-bis(dimethylamino)phenothiazine;Methylene blue leucobenzoy;10H-Phenothiazine-3,7-diamine, 10-benzoyl-N,N,N',N'-tetramethyl-;3,7-Bis(dimethylamino)-10-benzoylphenothiazine;EINECS 215-005-5;Phenothiazine, 10-benzoyl-3,7-bis(dimethylamino)-;AI3-17179;MLS000737962;GNF-PF-4992;NSC11881;[3,7-bis(dimethylamino)phenothiazin-10-yl]-phenylmethanone;C23H23N3OS;Methanone, [3,7-bis(dimethylamino)-10H-phenothiazin-10-yl]phenyl-;Methanone, (3,7-bis(dimethylamino)-10H-phenothiazin-10-yl)phenyl-;benzoyl leucomethylene blue;N-benzoylleuco methylene blue;SCHEMBL388483;CHEMBL275177;DTXSID3061639;Phenothiazine,7-bis(dimethylamino)-;CCG-41402;MFCD00059153;NSC-11881;AKOS037647001;NCGC00246723-01;AS-71895;SMR000528108;LS-105249;B0207;FT-0760404;D88613;SR-01000631485-1;10-Benzoyl-3,7-bis(dimethylamino)-10H-phenothiazine;10H-Phenothiazine-3, 10-benzoyl-N,N,N',N'-tetramethyl-;[3,7-bis(dimethylamino)phenothiazin-10-yl]-phenyl-methanone;(3,7-bis(dimethylamino)-10H-phenothiazin-10-yl)(phenyl)methanone;10-benzoyl-N3,N3,N7,N7-tetramethyl-10H-phenothiazine-3,7-diamine;PHENOTHIAZINE[10H]-3,7-DIAMINE, 10-BENZOYL- N,N,N',N'-TETRAMETHYL-

Chemical Property of Benzoyl leuco methylene blue

Chemical Property:

• Vapor Pressure: 7.25E-14mmHg at 25°C
• Melting Point: 198ºC
• Refractive Index: 1.696
• Boiling Point: 589.3 ºC at 760 mmHg
• PKA: 5.80±0.20(Predicted)
• Flash Point: 310.2 ºC
• PSA: 52.09000
• Density: 1.258 g/cm₃
• LogP: 5.32670
• Solubility.: very faint turbidity in hot Toluene
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 389.15618354
• Heavy Atom Count: 28
• Complexity: 516

Purity/Quality:

98%,99%, ^*data from raw suppliers

Benzoyl Leuco Methylene Blue ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)N(C)C)C(=O)C4=CC=CC=C4

Technology Process of Benzoyl leuco methylene blue

There total 10 articles about Benzoyl leuco methylene blue 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: 60.0%

Leuco-Methylenblau (613-11-6) + benzoyl chloride (98-88-4) → [3,7-bis(dimethylamino)phenothiazin-10-yl]phenylmethanone (1249-97-4)

Guidance literature:

With sodium hydroxide; for 1h; Ambient temperature;

Reference yield:

methylene blue (152071-32-4,105504-42-5,121067-62-7,12262-49-6,167498-52-4,6476-03-5,97130-83-1) + benzoyl chloride (98-88-4) → [3,7-bis(dimethylamino)phenothiazin-10-yl]phenylmethanone (1249-97-4)

Guidance literature:

methylene blue; With sodium dithionite; In water; for 0.75h; Inert atmosphere;

With sodium hydroxide; In water; at 18 - 20 ℃; for 1h; Inert atmosphere;

benzoyl chloride; In water; for 22h; Inert atmosphere;

Reference yield:

methylthionium chloride zinc chloride + benzoyl chloride (98-88-4) → [3,7-bis(dimethylamino)phenothiazin-10-yl]phenylmethanone (1249-97-4)

Guidance literature:

methylthionium chloride zinc chloride; With sodium dithionite; In water; at 20 ℃; for 1h; Inert atmosphere;

benzoyl chloride; With tetrabutylammomium bromide; sodium hydroxide; In water; for 2h; Inert atmosphere;

upstream raw materials:

Leuco-Methylenblau

benzoyl chloride

methylene blue

3,7-bis(dimethylamino)phenothiazin-5-ylium iodide

Downstream raw materials:

methylene blue

3,7-bis(dimethylamine)phenothiazonium

benzoic acid

Refernces

• 1、 Wei, Peng,Liu, Lingyan,Wen, Ying,Zhao, Guilong,Xue, Fengfeng,Yuan, Wei,Li, Ruohan,Zhong, Yaping,Zhang, Mengfan,Yi, Tao. "Release of Amino- or Carboxy-Containing Compounds Triggered by HOCl: Application for Imaging and Drug Design". . p. 4547 - 4551. Retrieved 2019.
• 2、 -. "PROCESS FOR THE PREPARATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS HAVING A HIGH DEGREE OF PURITY". Page/Page column 9; 10. . Retrieved 2017/12/15.