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| CAS No.: | 3764-87-2 |
|---|---|
| Name: | Trestolone |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C19H28O2 |
| Molecular Weight: | 288.43 |
| Synonyms: | Estr-4-en-3-one,17b-hydroxy-7a-methyl- (7CI,8CI);17b-Hydroxy-7a-methylestr-4-en-3-one;17b-Hydroxy-7a-methylestr-4-enone;19-Nor-7a-methyltestosterone;7a-Methyl-17b-hydroxy-4-estren-3-one;7a-Methyl-19-nortestosterone;7a-Methyl-3-oxo-4-estren-17b-ol;7a-Methylnandrolone;MENT;NSC 142229;RU 27333; |
| Density: | 1.119 g/cm3 |
| Melting Point: | 145-146 °C |
| Boiling Point: | 439.4 °C at 760 mmHg |
| Flash Point: | 187.3°C |
| Solubility: | 92mg/L(37 oC) |
| PSA: | 37.30000 |
| LogP: | 3.73510 |
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- 3764-87-2
7α-methyl-19-nortestosterone
| Conditions | Yield |
|---|---|
| With water; sulfuric acid In acetone at 20℃; for 48h; | 85% |
| Conditions | Yield |
|---|---|
| With water; potassium hydroxide In methanol; toluene at 40℃; for 2h; Inert atmosphere; | A 3% B 60.5% |
| Conditions | Yield |
|---|---|
| Stage #1: 7alpha-Methyl-19-nortestosterone acetate With methanol; potassium hydroxide for 3 - 4h; Stage #2: With citric acid pH=6; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1.1: perchloric acid / ethyl acetate; water / 8 h / 18 °C / Inert atmosphere 2.1: N-Bromosuccinimide / water; N,N-dimethyl-formamide / 1.17 h / 0 - 7 °C / Inert atmosphere 2.2: 1.58 h / 110 °C / Inert atmosphere 3.1: copper(l) iodide / tetrahydrofuran; Dimethyl ether / 0.5 h / 0 - 10 °C / Inert atmosphere 4.1: potassium hydroxide; water / methanol; toluene / 2 h / 40 °C / Inert atmosphere View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: N-Bromosuccinimide / water; N,N-dimethyl-formamide / 1.17 h / 0 - 7 °C / Inert atmosphere 1.2: 1.58 h / 110 °C / Inert atmosphere 2.1: copper(l) iodide / tetrahydrofuran; Dimethyl ether / 0.5 h / 0 - 10 °C / Inert atmosphere 3.1: potassium hydroxide; water / methanol; toluene / 2 h / 40 °C / Inert atmosphere View Scheme |
- 3764-87-2
7α-methyl-19-nortestosterone
- 107-21-1
ethylene glycol
- 141664-11-1
7α-methyl-3,3-(ethylenedioxy)-5(10)-estren-7-ol
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid; orthoformic acid triethyl ester In benzene at 72℃; for 1.5h; |
- 3764-87-2
7α-methyl-19-nortestosterone
- 107-21-1
ethylene glycol
A
- 141664-11-1
7α-methyl-3,3-(ethylenedioxy)-5(10)-estren-7-ol
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In benzene for 43h; Heating; Title compound not separated from byproducts; |
- 3764-87-2
7α-methyl-19-nortestosterone
- 107-21-1
ethylene glycol
A
- 141664-12-2
7α-methyl-3,3-(ethylenedioxy)-5(10)-estren-17-one
| Conditions | Yield |
|---|---|
| With sodium acetate; toluene-4-sulfonic acid; pyridinium chlorochromate 1.) benzene, reflux, 43 h, 2.) CH2Cl2, RT, 5.5 h; Yield given. Multistep reaction; | |
| With sodium acetate; toluene-4-sulfonic acid; pyridinium chlorochromate 1.) benzene, reflux, 43 h, 2.) CH2Cl2, RT, 5.5 h; Yield given. Multistep reaction. Title compound not separated from byproducts; |
- 3764-87-2
7α-methyl-19-nortestosterone
- 107-21-1
ethylene glycol
- 70277-75-7
lithium acetylide
- 1162-60-3
7α-methyl-17α-ethinyl-17β-hydroxy-4-estren-3-one
| Conditions | Yield |
|---|---|
| Multistep reaction; |
- 3764-87-2
7α-methyl-19-nortestosterone
- 107-21-1
ethylene glycol
- 70277-75-7
lithium acetylide
A
- 677299-58-0
7α-methylnorethynodrel ethylene ketal
| Conditions | Yield |
|---|---|
| With sodium acetate; toluene-4-sulfonic acid; ethylenediamine; pyridinium chlorochromate Multistep reaction. Title compound not separated from byproducts; |
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Specification
The Trestolone with the cas number 3764-87-2 is also called 17b-Hydroxy-7a-methylestr-4-en-3-one. The systematic name is (7alpha)-17-hydroxy-7-methylestr-4-en-3-one. Its molecular formula is C19H28O2. It is androgens and assimilation hormonal drugs.
The properties of the chemical are: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 263.69; (6)ACD/BCF (pH 7.4): 263.69; (7)ACD/KOC (pH 5.5): 1882; (8)ACD/KOC (pH 7.4): 1882; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 83.05 cm3; (15)Molar Volume: 257.7 cm3; (16)Polarizability: 32.92×10-24cm3; (17)Surface Tension: 43.8 dyne/cm; (18)Enthalpy of Vaporization: 80.38 kJ/mol; (19)Vapour Pressure: 1.44×10-9 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C3/C(C2CCC1(C(CCC1O)C2[C@H](C)C3)C)CC4
(2)InChI: InChI=1/C19H28O2/c1-11-9-12-10-13(20)3-4-14(12)15-7-8-19(2)16(18(11)15)5-6-17(19)21/h10-11,14-18,21H,3-9H2,1-2H3/t11-,14?,15?,16?,17?,18?,19?/m1/s1
(3)InChIKey: YSGQGNQWBLYHPE-BRIGUCEYBX