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Lysergol
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Name

Lysergol

 EINECS 210-024-5
CAS No. 602-85-7 Density 1.3 g/cm3
PSA 39.26000 LogP 1.96780
Solubility N/A Melting Point 248°C
Formula C16H18N2O Boiling Point 465.8 °C at 760 mmHg
Molecular Weight 254.332 Flash Point 235.5 °C
Transport Information UN 1544 Appearance Off-white to beige crystalline powder
Safety 26-36/37/39-45 Risk Codes 26/27/28
Molecular Structure Molecular Structure of 602-85-7 (LYSERGOL) Hazard Symbols VeryT+
Synonyms

9,10-Didehydro-6-methyl-8-hydroxymethylergoline;Ergoline, 9,10-didehydro-8-hydroxymethyl-6-methyl-;9,10-Didehydro-6-methylergoline-8beta-methanol;Ergoline-8-methanol, 9,10-didehydro-6-methyl-, (8-beta)-(9CI);Ergoline-8beta-methanol, 9,10-didehydro-6-methyl- (8CI);BRN 0088476;NSC 196867;[(8β)-6-Methyl-9,10-didehydroergolin-8-yl]methanol;

Article Data 16

Lysergol Synthetic route

((6aR,9R)-7-methyl-4-tosyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl)methanol

602-85-7

lysergol

Conditions
ConditionsYield
With magnesium In methanol Inert atmosphere;93%
1159774-79-4

lysergic acid methyl ester

A

478-93-3

((6aR,9S)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl)methanol

B

602-85-7

lysergol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; for 0.166667h;A 24%
B 49%
478-91-1

Lysergen

602-85-7

lysergol

Conditions
ConditionsYield
With sodium hydroxide; 9-borabicyclo[3.3.1]nonane dimer; dihydrogen peroxide 1.) THF, 60 deg C, 24 h, 2.) THF, 40 deg C, 2 h; Yield given. Multistep reaction;
6-methyl-9,10-didehydro-ergoline-8β-carboxylic acid methyl ester

6-methyl-9,10-didehydro-ergoline-8β-carboxylic acid methyl ester

602-85-7

lysergol

Conditions
ConditionsYield
With lithium aluminium tetrahydride; diethyl ether
elymoclavine

elymoclavine

602-85-7

lysergol

Conditions
ConditionsYield
With sodium butanolate; butan-1-ol
elymoclavine

elymoclavine

A

602-85-7

lysergol

B

isolysergol, lysergene

isolysergol, lysergene

Conditions
ConditionsYield
With potassium hydroxide at 140℃;
548-43-6

elymoclavine

2372-45-4

sodium butanolate

71-36-3

butan-1-ol

A

478-93-3

((6aR,9S)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl)methanol

B

602-85-7

lysergol

C

lysergene

lysergene

...Expand
548-43-6

elymoclavine

methanol. KOH

methanol. KOH

A

478-93-3

((6aR,9S)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl)methanol

B

602-85-7

lysergol

C

lysergene

lysergene

Conditions
ConditionsYield
at 140℃;
519-12-0

(+)-setoclavine

602-85-7

lysergol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 0.34 g / Woelm alumina / toluene / 2.5 h / Heating
2: 1.) 9-BBN, 2.) NaOH, 30percent aq. H2O2 / 1.) THF, 60 deg C, 24 h, 2.) THF, 40 deg C, 2 h
View Scheme

((6aR,9R)-4,7-ditosyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl)methanol

602-85-7

lysergol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium naphthalenide / tetrahydrofuran / 0.17 h / -78 °C / Inert atmosphere
2: sodium cyanoborohydride; acetic acid / methanol / 1 h / 25 °C / Inert atmosphere
View Scheme

Lysergol Specification

The Ergoline-8-methanol,9,10-didehydro-6-methyl-, (8β)- with CAS registry number of 602-85-7 is also known as Lysergol. The systematic name is [(8β)-6-Methyl-9,10-didehydroergolin-8-yl]methanol. Its EINECS registry number is 210-024-5. In addition, the formula is C16H18N2O and the molecular weight is 254.33. This chemical is a off-white to beige crystalline powder and should be sealed in cool, dry place away from oxidants.

Physical properties about Ergoline-8-methanol,9,10-didehydro-6-methyl-, (8β)- are: (1)ACD/LogP: 1.76; (2)ACD/LogD (pH 5.5): -0.99; (3)ACD/LogD (pH 7.4): 0.63; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 16.01; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 17.4Å2; (12)Index of Refraction: 1.709; (13)Molar Refractivity: 76.23 cm3; (14)Molar Volume: 195.1 cm3; (15)Polarizability: 30.22×10-24cm3; (16)Surface Tension: 64.3 dyne/cm; (17)Density: 1.3 g/cm3; (18)Flash Point: 235.5 °C; (19)Enthalpy of Vaporization: 76.64 kJ/mol; (20)Boiling Point: 465.8 °C at 760 mmHg; (21)Vapour Pressure: 1.78E-09 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. This chemical at very low levels causes damage to health. It is very toxic by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
1. SMILES: OC[C@@H]3/C=C2/c4cccc1c4c(cn1)C[C@H]2N(C3)C
2. InChI: InChI=1/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1
3. InChIKey: BIXJFIJYBLJTMK-MEBBXXQBBQ
4. Std. InChI: InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1
5. Std. InChIKey: BIXJFIJYBLJTMK-MEBBXXQBSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 intravenous 320ug/kg (0.32mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 97, 1972.

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