CAS No.5630-53-5,Tibolone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5630-53-5
Name:	Tibolone
Article Data:	12

Formula:	C₂₁H₂₈O₂
Molecular Weight:	312.452
Synonyms:	19-Nor-17a-pregn-5(10)-en-20-yn-3-one, 17-hydroxy-7a-methyl- (7CI,8CI);(7a,17a)-17-Hydroxy-7-methyl-19-norpregn-5(10)-en-20-yn-3-one;7a-Methyl-17a-ethynyl-17b-hydroxy-5(10)-estren-3-one;7a-Methyl-D5,10-norethindrone;Livial;Liviella;Org OD 14;19-Norpregn-5(10)-en-20-yn-3-one,17-hydroxy-7-methyl-, (7a,17a)-;
EINECS:	227-069-1
Density:	1.13 g/cm³
Melting Point:	169 °C
Boiling Point:	447.4 °C at 760 mmHg
Flash Point:	190.6 °C
Appearance:	white solid
Hazard Symbols:	N
Risk Codes:	51/53
Safety:	22-24/25-61
Transport Information:	UN 3077 9/PG 3
PSA:	37.30000
LogP:	3.88260

Synthetic route

: C25H36O4

: 5630-53-5
tibolone

Conditions

Conditions	Yield
With sulfuric acid In water; acetone at 0 - 5℃; for 1h; Industrial scale;	90%

: 105186-33-2
3,3-dimethoxy-7α-methyl-19-nor-17α-pregn-5(10)-en-20-yn-17β-ol

A: 1162-60-3
7α-methyl-17α-ethinyl-17β-hydroxy-4-estren-3-one

B: 5630-53-5
tibolone

C: 105186-34-3
10β-hydroperoxy-17β-hydroxy-7α-methyl-19-nor-17α-pregn-4-en-20-yn-3-one

Conditions

Conditions	Yield
With oxalic acid In ethanol; water at 20℃; for 2h; Yields of byproduct given;	A n/a B 79% C n/a

...Expand

: 15506-05-5
3-Methoxy-7α-methyl-17α-aethinyl-17β-hydroxy-Δ2,5(10)-19-norandrastadien

: 5630-53-5
tibolone

Conditions

Conditions	Yield
Stage #1: 3-Methoxy-7α-methyl-17α-aethinyl-17β-hydroxy-Δ2,5(10)-19-norandrastadien With ascorbic acid In ethanol at 20 - 30℃; for 1h; Activated Carbon Darco G60; Stage #2: With hydrogenchloride In ethanol; water at 20 - 25℃;	78%
With oxalic acid In methanol

: 677299-58-0
7α-methylnorethynodrel ethylene ketal

A: 1162-60-3
7α-methyl-17α-ethinyl-17β-hydroxy-4-estren-3-one

B: 5630-53-5
tibolone

Conditions

Conditions	Yield
Stage #1: 7α-methylnorethynodrel ethylene ketal With formic acid In tetrahydrofuran; ethanol; water at 40 - 60℃; for 1h; Stage #2: With formic acid In methanol for 6h;	A 19% B 63.7%
Stage #1: 7α-methylnorethynodrel ethylene ketal With copper(II) sulfate In methanol; ethanol; water at 73 - 76℃; for 4.5h; Stage #2: With copper(II) sulfate for 0.5h;	A 5.7% B 49%

: 105186-33-2
3,3-dimethoxy-7α-methyl-19-nor-17α-pregn-5(10)-en-20-yn-17β-ol

: 5630-53-5
tibolone

Conditions

Conditions	Yield
With oxalic acid In methanol; water at 25℃; Solvent; Reagent/catalyst; Temperature;	60.6%
In water Product distribution / selectivity; Acidic conditions;

: 105186-32-1
7α-methylestr-5(10)-ene-3,17-dione

: 5630-53-5
tibolone

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 86 percent / malonic acid / 24 h / 20 °C 2: 91 percent / potassium tert-butoxide / tetrahydrofuran / 2 h / 0 °C 3: 79 percent / oxalic acid dihydrate / H2O; ethanol / 2 h / 20 °C View Scheme

: 88247-84-1
3,3-dimethoxy-7α-methylestr-5(10)-en-17-one

: 5630-53-5
tibolone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 91 percent / potassium tert-butoxide / tetrahydrofuran / 2 h / 0 °C 2: 79 percent / oxalic acid dihydrate / H2O; ethanol / 2 h / 20 °C View Scheme

: 17β,19-dihydroxy-7-methylandrost-4-en-3-one

: 5630-53-5
tibolone

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 46 percent / CrO3, conc. H2SO4 / H2O; CH2Cl2 / 2.75 h / 30 - 40 °C 2: 98 percent / magnesium methoxide / tetrahydrofuran; liquid ammonia / 1 h / -35 °C 3: 86 percent / malonic acid / 24 h / 20 °C 4: 91 percent / potassium tert-butoxide / tetrahydrofuran / 2 h / 0 °C 5: 79 percent / oxalic acid dihydrate / H2O; ethanol / 2 h / 20 °C View Scheme

: 63841-74-7
7α-methyl-3,17-dioxoandrost-4-en-19-al

: 5630-53-5
tibolone

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 98 percent / magnesium methoxide / tetrahydrofuran; liquid ammonia / 1 h / -35 °C 2: 86 percent / malonic acid / 24 h / 20 °C 3: 91 percent / potassium tert-butoxide / tetrahydrofuran / 2 h / 0 °C 4: 79 percent / oxalic acid dihydrate / H2O; ethanol / 2 h / 20 °C View Scheme

: 10449-00-0
7α-methylestrone 3-methyl ether

: 5630-53-5
tibolone

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: LiAlH4 / tetrahydrofuran 2: Na, tBuOH, liq. NH3 / tetrahydrofuran 3: Al(OiPr)3, cyclohexanone / toluene 4: ethane-1,2-diamine / dimethylsulfoxide; toluene 5: aq. oxalic acid / methanol View Scheme

Raw Materials

Downstream Products

Total:134 Page 1 of 4 1 2 3 4 Next>>

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Specification

1. Introduction of Tibolone

The Tibolone belongs to the product categories of Active Pharmaceutical Ingredients; Hormone; Acetylenes; Biochemistry; Functionalized Acetylenes; Hydroxyketosteroids; Steroids; Intermediates & Fine Chemicals; Pharmaceuticals. Its IUPAC name is called 17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one. This chemical's classification codes are Anabolic; Anabolic Agents; Androgen Antagonists; Antihypertensive Agents; Antineoplastic Agents; Antineoplastic agents, hormonal; Cardiovascular Agents; Estrogen Receptor Modulators; Hormone Antagonists; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists; Menopausal symptoms suppressant.

2. Properties of Tibolone

Physical properties of Tibolone: (1)ACD/LogP: 4.03; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Index of Refraction: 1.57; (6)Molar Refractivity: 89.95 cm³; (7)Molar Volume: 274.1 cm³; (8)Surface Tension: 47.4 dyne/cm; (9)Density: 1.13 g/cm³; (10)Flash Point: 190.6 °C; (11)Enthalpy of Vaporization: 81.43 kJ/mol; (12)Boiling Point: 447.4 °C at 760 mmHg; (13)Vapour Pressure: 6.96E-10 mmHg at 25°C.

3. Structure Descriptors of Tibolone

You could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1CC2=C(CCC(=O)C2)C3C1C4CCC(C4(CC3)C)(C#C)O
(2)InChI: InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3
(3)InChIKey: WZDGZWOAQTVYBX-UHFFFAOYSA-N

4. Safety Information of Tibolone

When you are using this chemical, please be cautious about it as the following:
This chemical may present an immediate or delayed danger to one or more components of the environment. It is toxic to aquatic organisms which may cause long-term adverse effects in the aquatic environment. In addition, you should not breathe its dust. You must avoid contacting it with skin and eyes. What's more, you must avoid releasing it to the environment.

5. Preparation of Tibolone

Preparation: this chemical can be prepared by 7α-methyl-10-formaldehyde-based progesterone-4-ene-3,17-dione.

Tibolone is a synthetic steroid hormone drug, which is fairly non-selective in its binding profile, acting as an agonist at all five of the Type I steroid hormone receptors. It is used mainly for treatment of endometriosis, as well as hormone replacement therapy in post-menopausal women.