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| CAS No.: | 122370-91-6 |
|---|---|
| Name: | Methylene boldenone |
| Molecular Structure: | |
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| Formula: | C20H26O2 |
| Molecular Weight: | 298.425 |
| Synonyms: | 17-Hydroexemestane;Hydroexemestane; |
| Density: | 1.14g/cm3 |
| Melting Point: | 134-136℃ |
| Boiling Point: | 454.94 °C at 760 mmHg |
| Flash Point: | 193.73 °C |
| PSA: | 37.30000 |
| LogP: | 3.82130 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 1160599-91-6
6-methyleneandrosta-1,4-dien-3-one 17β-acetate
- 122370-91-6
17β-hydroxy-6-methylen- androsta-1,4-dien-3-one
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol at 20℃; Inert atmosphere; | 95% |
| With methanol; sodium hydroxide for 2h; Product distribution / selectivity; |
- 3347-73-7
17β-hydroxy-6-methyleneandrosta-4-ene-3-one
- 122370-91-6
17β-hydroxy-6-methylen- androsta-1,4-dien-3-one
| Conditions | Yield |
|---|---|
| With N,O-Bis(trimethylsilyl)trifluoroacetamide; chloranil; trifluorormethanesulfonic acid In toluene at 108 - 110℃; for 4h; Product distribution / selectivity; Heating / reflux; | 68.4% |
| With trifluorormethanesulfonic acid; N,O-Bis(trimethylsilyl)trifluoroacetamide; chloranil In toluene Inert atmosphere; Reflux; | 68% |
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone; benzoic acid In benzene at 80 - 82℃; for 5h; Product distribution / selectivity; Heating / reflux; | 14% |
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,4-dioxane; ethyl acetate |
- 107868-30-4
exemestane
B
- 122370-91-6
17β-hydroxy-6-methylen- androsta-1,4-dien-3-one
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; acetic acid; trifluoroacetic acid In dichloromethane; acetonitrile at 20℃; for 11h; Inert atmosphere; | A 11.3 mg B 39% |
- 50-00-0
formaldehyd
- 846-48-0
1-dehydrotestosterone
- 122370-91-6
17β-hydroxy-6-methylen- androsta-1,4-dien-3-one
| Conditions | Yield |
|---|---|
| With N,N-dimethylammonium chloride 1.) isoamyl alcohol, reflux, 2 h, 2.) isoamyl alcohol, reflux, 15 h; Multistep reaction; |
- 122370-91-6
17β-hydroxy-6-methylen- androsta-1,4-dien-3-one
- 107868-30-4
exemestane
| Conditions | Yield |
|---|---|
| With Jones reagent In acetone at -20℃; Jones oxidation; Inert atmosphere; | 100% |
| With jones reagent In acetone at -20℃; for 0.25h; | 85% |
| With Jones reagent In acetone at 0℃; Product distribution / selectivity; |
- 52-90-4
L-Cysteine
- 122370-91-6
17β-hydroxy-6-methylen- androsta-1,4-dien-3-one
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol at 20℃; for 24h; Inert atmosphere; | 13% |
- 122370-91-6
17β-hydroxy-6-methylen- androsta-1,4-dien-3-one
| Conditions | Yield |
|---|---|
| With 3-chloro-benzenecarboperoxoic acid In dichloromethane for 48h; Ambient temperature; Yield given; |
- 122370-91-6
17β-hydroxy-6-methylen- androsta-1,4-dien-3-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 50percent m-chloroperbenzoic acid / CH2Cl2 / 48 h / Ambient temperature 2: 35 percent / 20percent aq. HClO4 / tetrahydrofuran / 3 h / Ambient temperature View Scheme |
- 122370-91-6
17β-hydroxy-6-methylen- androsta-1,4-dien-3-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 85 percent / Jones reagent / acetone / 0.25 h / -20 °C 2: 80 percent / 50percent m-chloroperbenzoic acid / CH2Cl2 / 48 h / Ambient temperature 3: 38 percent / 20percent aq. HClO4 / tetrahydrofuran / 3 h / Ambient temperature View Scheme |
- 122370-91-6
17β-hydroxy-6-methylen- androsta-1,4-dien-3-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 50percent m-chloroperbenzoic acid / CH2Cl2 / 48 h / Ambient temperature 2: 45 percent / 20percent aq. HClO4 / tetrahydrofuran / 3 h / Ambient temperature View Scheme |
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Specification
The Methylene boldenone, with CAS registry number 122370-91-6, belongs to the following product categories: (1)Intermediates & Fine Chemicals; (2)Metabolites & Impurities; (3)Pharmaceuticals; (4)Steroids. It has the systematic name of (8R,10R,13S,17S)-17-hydroxy-10,13-dimethyl-6-methylene-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-3-one. And this chemical is a kind of off-white solid.
Physical properties of Methylene boldenone: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.075; (4)ACD/LogD (pH 7.4): 3.075; (5)ACD/BCF (pH 5.5): 127.923; (6)ACD/BCF (pH 7.4): 127.923; (7)ACD/KOC (pH 5.5): 1121.406; (8)ACD/KOC (pH 7.4): 1121.406; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 87.194 cm3; (15)Molar Volume: 261.655 cm3; (16)Polarizability: 34.566×10-24cm3; (17)Surface Tension: 44.744 dyne/cm; (18)Enthalpy of Vaporization: 82.435 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C[C@]12CCC3[C@H](C1CC[C@@H]2O)CC(=C)C4=CC(=O)C=C[C@]34C
(2)InChI: InChI=1/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16,18,22H,1,4-5,7,9-10H2,2-3H3/t14-,15?,16?,18-,19+,20-/m0/s1
(3)InChIKey: NFDPYPMRHKQTDM-UDPADUBZBM
(4)Std. InChI: InChI=1S/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16,18,22H,1,4-5,7,9-10H2,2-3H3/t14-,15?,16?,18-,19+,20-/m0/s1
(5)Std. InChIKey: NFDPYPMRHKQTDM-UDPADUBZSA-N