CAS No.122370-91-6,Methylene boldenone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	122370-91-6
Name:	Methylene boldenone
Article Data:	5

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

Synthetic route

: 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

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

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

A: 6-methylandrosta-1,4,6-trien-17β-ol

B: 122370-91-6
17β-hydroxy-6-methylen- androsta-1,4-dien-3-one

Conditions

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

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

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

: 6-methylcysteinylandrosta-1,4-diene-17β-hydroxy-3-one

Conditions

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

: 17β-hydroxy-6α/β-spirooxiranandrosta-1,4-dien-3-one

Conditions

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

: 17β-hydroxy-6-hydroxymethylandrosta-1,4,6-triene-3-one

Conditions

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

: 6-Hydroxymethylexemestane

Conditions

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

: 6α/β,17β-dihydroxy-6α/β-hydroxymethylandrosta-1,4-diene-3-one

Conditions

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

Raw Materials

846-48-0

50-00-0

Downstream Products

107868-30-4

Total:36 Page 1 of 1 1

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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