Product Name

  • Name

    1-[(2-[DIETHYLAMINO]ETHYL)AMINO]-4-[HYDROXYMETHYL]-9H-THIOXANTHEN-9-ONE

  • EINECS
  • CAS No. 3105-97-3
  • Article Data1
  • CAS DataBase
  • Density 1.25g/cm3
  • Solubility
  • Melting Point 100.6-102.8°
  • Formula C20H24 N2 O2 S
  • Boiling Point 570.5°Cat760mmHg
  • Molecular Weight 356.489
  • Flash Point 298.9°C
  • Transport Information
  • Appearance
  • Safety Poison by subcutaneous, intravenous, and intramuscular routes. Moderately toxic by ingestion. Experimental teratogenic effects. Human mutation data reported. Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits very toxic fumes of NOx and SOx.
  • Risk Codes 45-46-20/21/22
  • Molecular Structure Molecular Structure of 3105-97-3 (1-[(2-[DIETHYLAMINO]ETHYL)AMINO]-4-[HYDROXYMETHYL]-9H-THIOXANTHEN-9-ONE)
  • Hazard Symbols
  • Synonyms Thioxanthen-9-one,1-[[2-(diethylamino)ethyl]amino]-4-(hydroxymethyl)- (7CI,8CI); 1-[[2-(Diethylamino)ethyl]amino]-4-(hydroxymethyl)-9H-thioxanthen-9-one;1-[[2-(Diethylamino)ethyl]amino]-4-(hydroxymethyl)thioxanthen-9-one; Hycanthon;Hycanthone; NCI 142982; NSC 134434; NSC 142982; Win 24933
  • PSA 80.81000
  • LogP 3.73370

Synthetic route

hycanthone
3105-97-3

hycanthone

phenyl isocyanate
103-71-9

phenyl isocyanate

hycanthone N-phenylcarbamate
3612-74-6

hycanthone N-phenylcarbamate

Conditions
ConditionsYield
In dichloromethane100%
hycanthone
3105-97-3

hycanthone

acetic anhydride
108-24-7

acetic anhydride

4-acetoxymethyl-1-(2-diethylamino-ethylamino)-thioxanthen-9-one
3612-72-4

4-acetoxymethyl-1-(2-diethylamino-ethylamino)-thioxanthen-9-one

Conditions
ConditionsYield
With pyridine63%
acetamide
60-35-5

acetamide

hycanthone
3105-97-3

hycanthone

N-[1-(2-diethylamino-ethylamino)-9-oxo-9H-thioxanthen-4-ylmethyl]acetamide

N-[1-(2-diethylamino-ethylamino)-9-oxo-9H-thioxanthen-4-ylmethyl]acetamide

Conditions
ConditionsYield
With sulfuric acid In acetic acid at 140℃; for 0.166667h;43%
hycanthone
3105-97-3

hycanthone

formamide
77287-34-4, 77287-35-5, 60100-09-6

formamide

N-[[1-[[2-(diethylamino)ethyl]amino]-9-oxothioxanthen-4-yl]methyl]formamide
146537-03-3

N-[[1-[[2-(diethylamino)ethyl]amino]-9-oxothioxanthen-4-yl]methyl]formamide

Conditions
ConditionsYield
With sulfuric acid In acetic acid at 140℃; for 0.166667h;43%
hycanthone
3105-97-3

hycanthone

methyl chloroformate
79-22-1

methyl chloroformate

hycanthone methyl carbonate
111324-59-5

hycanthone methyl carbonate

Conditions
ConditionsYield
With pyridine In dichloromethane19%
Propyl isocyanate
110-78-1

Propyl isocyanate

hycanthone
3105-97-3

hycanthone

hycanthone N-propylcarbamate
111324-57-3

hycanthone N-propylcarbamate

Conditions
ConditionsYield
In dichloromethane
hycanthone
3105-97-3

hycanthone

n-butyl isocyanide
111-36-4

n-butyl isocyanide

hycanthone N-butylcarbamate
111324-58-4

hycanthone N-butylcarbamate

Conditions
ConditionsYield
In dichloromethane
hycanthone
3105-97-3

hycanthone

p-toluenesulfonyl chloride
98-59-9

p-toluenesulfonyl chloride

Toluene-4-sulfonic acid 1-(2-diethylamino-ethylamino)-9-oxo-9H-thioxanthen-4-ylmethyl ester

Toluene-4-sulfonic acid 1-(2-diethylamino-ethylamino)-9-oxo-9H-thioxanthen-4-ylmethyl ester

Conditions
ConditionsYield
With pyridine for 1.5h; Ambient temperature;
hycanthone
3105-97-3

hycanthone

HO-(2,6-naphthylidene)-C(NH)NHC(O)OCH2-(p-C6H4)-OCH2C(O)NHCH2-(polystyrene resin)

HO-(2,6-naphthylidene)-C(NH)NHC(O)OCH2-(p-C6H4)-OCH2C(O)NHCH2-(polystyrene resin)

6-[1-(2-diethylamino-ethylamino)-9-oxo-9H-thioxanthen-4-ylmethoxy]-naphthalene-2-carboxamidine

6-[1-(2-diethylamino-ethylamino)-9-oxo-9H-thioxanthen-4-ylmethoxy]-naphthalene-2-carboxamidine

Conditions
ConditionsYield
Stage #1: hycanthone; HO-(2,6-naphthylidene)-C(NH)NHC(O)OCH2-(p-C6H4)-OCH2C(O)NHCH2-(polystyrene resin) With tributylphosphine; diamide; triethylamine In tetrahydrofuran; dichloromethane for 15h; Solid phase reaction;
Stage #2: With trifluoroacetic acid In dichloromethane; water for 4h; Solid phase reaction;
hycanthone
3105-97-3

hycanthone

2-[1-(2-Diethylamino-ethylamino)-9-oxo-9H-thioxanthen-4-ylmethyl]-1,1-dioxo-1,2-dihydro-1λ6-benzo[d]isothiazol-3-one

2-[1-(2-Diethylamino-ethylamino)-9-oxo-9H-thioxanthen-4-ylmethyl]-1,1-dioxo-1,2-dihydro-1λ6-benzo[d]isothiazol-3-one

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: pyridine / 1.5 h / Ambient temperature
2: 80 percent / tetra-n-butylammonium bromide / dimethylformamide / 2 h / 100 °C
View Scheme
hycanthone
3105-97-3

hycanthone

C20H23N2O5S2(1-)

C20H23N2O5S2(1-)

Conditions
ConditionsYield
With sulfotransferase; 3′-phosphoadenosine 5′-phosphosulfate

Hycanthone Chemical Properties

The IUPAC name of Hycanthone (CAS NO.3105-97-3):
1-(2-Diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one
Synonyms: 1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)-9H-thioxanthen-9-one ; 1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)thioxanthen-9-one ; 5-18-12-00070 (Beilstein Handbook Reference) ; 9H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)- ; BRN 1402722 ; CCRIS 957 ; Hicantona ; Hicantona [INN-Spanish] ; Hycanthon ; Hycanthone ; Hycanthonum ; Hycanthonum [INN-Latin] ; Lucanthone metabolite ; NSC 134434 ; NSC 142982 ; WIN 24933 
CAS: 3105-97-3
EINECS: 221-463-7 
Molecular Formula: C20H24N2O2S
Formula Weight: 356.48 g/mol
Molecular Structure:

Index of Refraction: 1.658 
Density: 1.25 g/cm3
Flash Point: 298.9 °C 
Boiling Point: 570.5 °C at 760 mmHg 
General Description: Odorless canary yellow to yellow-orange crystalline powder. Bitter taste.
Air & Water Reactions: 1-[(2-[DIETHYLAMINO]ETHYL)AMINO]-4-[HYDROXYMETHYL]-9H-THIOXANTHEN-9-ONE may be sensitive to prolonged exposure to air and light. Highly soluble in water.

Hycanthone Toxicity Data With Reference

The toxicity of Hycanthone (CAS NO.3105-97-3):

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 253mg/kg (253mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 200, Pg. 1, 1977.
mouse LD50 intravenous 70mg/kg (70mg/kg)   Egyptian Journal of Bilharziasis. Vol. 1, Pg. 181, 1974.
mouse LD50 oral 1120mg/kg (1120mg/kg)   Egyptian Journal of Bilharziasis. Vol. 1, Pg. 181, 1974.
mouse LD50 subcutaneous 270mg/kg (270mg/kg)   Egyptian Journal of Bilharziasis. Vol. 1, Pg. 181, 1974.
rat LD50 intravenous 75mg/kg (75mg/kg)   Egyptian Journal of Bilharziasis. Vol. 1, Pg. 181, 1974.
rat LD50 oral 980mg/kg (980mg/kg)   Egyptian Journal of Bilharziasis. Vol. 1, Pg. 181, 1974.
rat LD50 subcutaneous 286mg/kg (286mg/kg)   Egyptian Journal of Bilharziasis. Vol. 1, Pg. 181, 1974.

Hycanthone Consensus Reports

EPA Genetic Toxicology Program.

Hycanthone Safety Profile

The Hazard Codes of Hycanthone (CAS NO.3105-97-3): ToxicT
Risk Statements: R45:May cause cancer. R46:May cause heritable genetic damage. R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: S53:Avoid exposure - obtain special instructions before use. S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 3
RTECS: XO1590000
Poison by subcutaneous, intravenous, and intramuscular routes. Moderately toxic by ingestion. Experimental teratogenic effects. Human mutation data reported. Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits very toxic fumes of NOx and SOx.

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