Phenothiazine-10-carbonyl chloride

Base Information

• Chemical Name: Phenothiazine-10-carbonyl chloride
• CAS No.: 18956-87-1
• Molecular Formula: C13H8 Cl N O S
• Molecular Weight: 261.732
• Hs Code.: 29343000
• European Community (EC) Number: 242-699-7
• DSSTox Substance ID: DTXSID50172367
• Nikkaji Number: J224.811E
• Wikidata: Q72500934
• Mol file: 18956-87-1.mol

Synonyms:Phenothiazine-10-carbonyl chloride;18956-87-1;10H-Phenothiazine-10-carbonyl chloride;C13H8ClNOS;EINECS 242-699-7;MFCD00044216;SCHEMBL522271;Phenothiazine N-carbonyl chloride;DTXSID50172367;AC7995;BBL011083;STK802299;AKOS005622495;AS-61683;SY011494;FT-0637770;10H-Phenothiazine-10-carboxylic acid chloride;A813331;EN300-18536746;W-107747

Chemical Property of Phenothiazine-10-carbonyl chloride

Chemical Property:

• Appearance/Colour: Green gray powder.
• Vapor Pressure: 3.11E-05mmHg at 25°C
• Melting Point: 168-170 ºC
• Refractive Index: 1.5630 (estimate)
• Boiling Point: 416.1°Cat760mmHg
• PKA: -4.57±0.20(Predicted)
• Flash Point: 205.4°C
• PSA: 45.61000
• Density: 1.432g/cm³
• LogP: 4.71310
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 261.0015127
• Heavy Atom Count: 17
• Complexity: 290

Purity/Quality:

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

PHENOTHIAZINE-10-CARBONYL CHLORIDE ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-29
• Safety Statements: 45-36/37/39-28A-26-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)Cl

Technology Process of Phenothiazine-10-carbonyl chloride

There total 3 articles about Phenothiazine-10-carbonyl chloride 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:

10H-phenothiazine (92-84-2) + bis(trichloromethyl) carbonate (32315-10-9) → 10H-phenothiazine-10-carbonyl chloride (18956-87-1)

Guidance literature:

With pyridine; In 1,2-dichloro-ethane; at 75 ℃; for 3h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.6b01591

Reference yield:

phosgene (75-44-5) + 2-ethanesulfonylmethyl-5-bromo-thiophene (98546-66-8) → 10H-phenothiazine-10-carbonyl chloride (18956-87-1)

Guidance literature:

With toluene; at 100 ℃; im Rohr;

Reference yield:

→ 10H-phenothiazine-10-carbonyl chloride (18956-87-1)

Guidance literature:

Phenothiazin, Phosgen, Xylol, Benzol, Δ;

upstream raw materials:

phosgene

2-ethanesulfonylmethyl-5-bromo-thiophene

10H-phenothiazine

bis(trichloromethyl) carbonate

Refernces

• 1、 Prinz, Helge,Ridder, Ann-Kathrin,Vogel, Kirsten,B?hm, Konrad J.,Ivanov, Igor,Ghasemi, Jahan B.,Aghaee, Elham,Müller, Klaus. "N-heterocyclic (4-phenylpiperazin-1-yl)methanones derived from phenoxazine and phenothiazine as highly potent inhibitors of tubulin polymerization". . p. 749 - 766. Retrieved 2017/02/05.