1531-77-7

Basic information

• Product Name: Dibenzo[b,e]thiepin-11(6H)-one
• Synonyms: Dibenz[b,e]thiepin-11(6H)-one;11-OXO-6,11-DIHYDRODIBENZO(B,E)THIEPIN;11-OXO-6,11-HYDRODIBENZO[B,C]THIEPIN;6,11-DIHYDRODIBENZO[B,E]THIEPIN-11-ONE;6,11-DIHYDRO DIBENZ(B,E) THIEPIN-11-ONE;DIBENZO(B,E)THIEPIN-11(6H)-ONE;Dothiepinone;11-Oxo-6,11-dihydrodibenzo thiepin
• CAS NO: 1531-77-7
• Molecular Formula: C₁₄H₁₀OS
• Molecular Weight: 226.29
• EINECS: 216-241-1
• Product Categories: C13 to C14;Carbonyl Compounds;Ketones
• Mol File: 1531-77-7.mol
• Article Data: 11

Chemical Properties

• Melting Point: 86-88 °C(lit.)
• Boiling Point: 175-180°C 1mm
• Flash Point: 175-180°C/1mm
• Appearance: off-white crystalline powder
• Density: 1.1989 (rough estimate)
• Vapor Pressure: 8.78E-07mmHg at 25°C
• Refractive Index: 1.5700 (estimate)
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• CAS DataBase Reference: Dibenzo[b,e]thiepin-11(6H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: Dibenzo[b,e]thiepin-11(6H)-one(1531-77-7)
• EPA Substance Registry System: Dibenzo[b,e]thiepin-11(6H)-one(1531-77-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26
• WGK Germany: 3
• Hazardous Substances Data: 1531-77-7(Hazardous Substances Data)

Usage

Chemical Properties

off-white crystalline powder

Uses

Different sources of media describe the Uses of 1531-77-7 differently. You can refer to the following data:
1. Homothioxanthone is used to inhibit dengue virus replication.
2. 6,11-Dihydrodibenzo[b,e]thiepin-11-one may be used as a starting reagent in the synthesis of 6,11-dihydrodibenzo[b,e]thiepin-11-one 5,5-dioxide.

General Description

6,11-Dihydrodibenzo[b,e]thiepin-11-one is an organic building block. Its density is 1.2151g/ml at 25°C.

InChI:InChI=1/C14H10OS/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-8H,9H2

Upstream product

• 42330-88-1 1-chloro-3-(2-tetrahydropyranyloxy)propane 
• 1745-54-6 6,11-dihydrodibenzo[b,e]thiepin-11-carbonitrile 
• 108-98-5 thiophenol 
• 6320-02-1 o-bromothiophenol 
• 22115-41-9 2-(bromomethyl)benzonitrile 
• 1531-79-9 ethyl 2-[(phenylsulfanyl)methyl]benzoate 
• 7115-91-5 2-ethoxycarbonylbenzyl bromide 
• 87-24-1 ethyl 2-methylbenzoate 
• 118-90-1 ortho-methylbenzoic acid 
• 87-41-2 2-benzofuran-1(3H)-one 
• 930-69-8 sodium thiophenolate 
• 92164-25-5 2-[(phenylthio)methyl]benzonitrile 
• 104373-43-5 N-Hydroxy-2-phenylsulfanylmethyl-benzamide 
• 109-54-6 3-(Dimethylamino)propyl chloride 

Downstream Products

• 1531-85-7 11-oxo-11-(dimethylaminopropyl)-6,11-dihydrodibenz-(b,e)thiepin 
• 33301-21-2 6,11-Dihydrodibenzothiepin-11-one 5,5-dioxide 
• 1447-70-7 11-(1-methyl-4-piperidylidene)-6,11-dihydrodibenzothiepin 
• 116196-99-7 4-(6,11-Dihydrodibenzothiepin-11-ylidene)-1-methyltetrahydrothiopyranium Iodide 
• 112930-66-2 3-(6,11-dihydrodibenzothiepin-11-ylidene)propionyl chloride 
• 112930-69-5 3-(6,11-dihydrodibenzothiepin-11-ylidene)propionamide 
• 112930-64-0 (E)-11-(2-Carboxyethylidene)-6,11-dihydrodibenzothiepin 5,5-Dioxide 
• 112930-62-8 (E)-11-(2-Carboxyethylidene)-6,11-dihydrodibenzothiepin 5-Oxide 
• 112930-58-2 (E)-3-(6,11-dihydrodibenzothiepin-11-ylidene)propionic acid 
• 139305-17-2 1-(5,11-Dihydro-10-thia-dibenzo[a,d]cyclohepten-5-yl)-4-((E)-3-phenyl-allyl)-piperazine; compound with oxalic acid 
• 84-65-1 9,10-phenanthrenequinone 
• 2514-36-5 2-benzylbenzo[d]isothiazol-3(2H)-one 
• 1745-46-6 6,11-dihydrodibenzo[b,e]thiepin-11-ol 
• 25627-36-5 Dothiepin hydrochloride 

Relevant articles and documents

Inhibitors of farnesyl protein transferase. Synthesis and biological activity of amide and cyanoguanidine derivatives containing a 5,11'dihydro[1]benzthiepin, benzoxepin, and benzazepin [4,3-b]pyridine ring system

Bioisosteric replacement of the C-6 carbon atom in piperidine I and piperazine II with S, O, and N heteroatoms is described. Amide and cyanoguanidine derivatives of these compounds were evaluated in vitro and found to be good inhibitors of farnesyl-protein transferase. An improved method of preparing the 5,11-dihydro[1]-benzthiepin nucleus 6 was accomplished in high yield and with excellent regioselectivity using an A1Cl3 melt protocol.

Friedel–Crafts reactions of acyl trifluoromethanesulfonates and cyclic acylsulfonium cations generated from acyl fluorides

Reactive acyl trifluoromethanesulfonates are formed from the reaction of acyl fluorides with trimethylsilyl trifluoromethanesulfonate (TMSOTf). These electrophiles undergo Friedel–Crafts reactions with electron-rich aromatics at room temperature. When a sulfur atom is present at their γ position, their cyclization to acylsulfonium cations is observed and is followed by a rearrangement leading to benzothiepinones (or dibenzo[b,e]thiepinones) in 40–85% yield.

Investigation of the solvent enclathration potentials of 5-phenyl-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ol and related seven-membered ring alcohols

Four previously reported tricyclic alcohols containing seven-membered central B-rings, 5-phenyl-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ol, 5-phenyl-5H-dibenzo[a,d]cyclohepten-5-ol, 11-phenyl-6,11-dihydrodibenzo[b,e] oxepin-11-ol and 11-phenyl-6,11-dihydrodibenzo[b,e]thiepin-11-ol have been synthesized and their solvent enclathration (inclusion) properties investigated and compared by using 1H-NMR and differential scanning calorimetry (DSC). The presence of an oxygen or a sulphur atom, respectively, in the B-ring of the latter two compounds had a detrimental effect on the solvent enclathration properties of the host compounds as compared to those containing an ethane or ethylene bridge. This suggests that, although enclathration is highly dependent on the hydrogen bonding ability of the host, rigidity of the structure plays a crucial role in the formation and stability of these complexes.