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Cas Database

10002-97-8

10002-97-8

Identification

  • Product Name:Estrane-3,17-diol, (3a,5b,17b)-

  • CAS Number: 10002-97-8

  • EINECS:

  • Molecular Weight:278.435

  • Molecular Formula:C18H30 O2

  • HS Code:

  • Mol File:10002-97-8.mol

Synonyms:5b-Estrane-3a,17b-diol (6CI,7CI,8CI); 19-Nor-5b-androstane-3a,17b-diol; 5b-Estran-3a,17b-diol; NSC 81400

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Safety information and MSDS view more

  • Signal Word:no data available

  • Hazard Statement:no data available

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

  • Fire-fighting measures: Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

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Relevant articles and documentsAll total 2 Articles be found

Neurosteroid analogues. 4. The effect of methyl substitution at the C-5 and C-10 positions of neurosteroids on electrophysiological activity at GABA(A) receptors

Han, Mingcheng,Zorumski, Charles F.,Covey, Douglas F.

, p. 4218 - 4232 (2007/10/03)

A series of analogues of the neuroactive steroids 3α-hydroxy-5α- pregnan-20-one and 3α-hydroxy-5β-pregnan-20-one were studied to elucidate the mode of binding of 5α- and 5β-reduced steroids to steroid binding sites on GABA(A) receptors. Analogues which were either 3α-hydroxy-20-ketosteroids or 3α-hydroxysteroid-17β-carbonitriles and which contained various methyl group substitution patterns at C-5 and C-10 were prepared. Evaluations utilized whole-cell patch clamp electrophysiological methods carried out on cultured rat hippocampal neurons, and the results obtained with the rigid 17β-carbonitrile analogs were analyzed using molecular modeling methods. The molecular modeling results provide a rationale for the observation that the configuration of the hydroxyl group at C-3 is a greater determinant of anesthetic potency than the configuration of the A,B ring fusion at C-5. The electrophysiological results identify steric restrictions for the space that can be occupied in 5α- and 5β-reduced steriod modulators of GABA(A) recepters in the regions of space proximate to the steroid C-5, C-10, and possibly C-4 positions. This information is useful for the development of nonsteroidal analogues that can modulate GABA(A) receptors via interactions at steroid binding sites.

Microbiological Transformations. XVI. Transformation of 5α- and 5β-Dihydro, and 1- and 6-Dehydro Derivatives of Testosterone and Androstenedione by Means of Rhodotorula mucilaginosa Strain

Draczynska, Bozena,Tlomak, Elzbieta,Dmochowska-Gladysz, Jadwiga,Siewinski, Antoni

, p. 13 - 21 (2007/10/02)

The following transformation of 5α- and 5β-dihydro derivatives of testosterone and androstenedione by means of Rhodotorula mucilaginosa has been observed: reduction of the carbonyl group on C-3 to both possible alcohols in the 5α-series and only to one alcohol (3α) in the 5β-series.In the transformation of 1- and 6-dehydro derivatives of testosterone and androstenedione, reduction in ring A was completely inhibited.The carbonyl or hydroxy groups at C-17 in both series of substrates underwent interconversion.

Process route upstream and downstream products

Process route

19-nortestosterone
434-22-0

19-nortestosterone

17β-hydroxy-5α-estran-3-one
1434-85-1

17β-hydroxy-5α-estran-3-one

5α‐estrane‐3β,17β‐diol
1816-75-7

5α‐estrane‐3β,17β‐diol

5β‐estrane‐3α,17β‐diol
10002-97-8

5β‐estrane‐3α,17β‐diol

17β-hydroxy-19-nor-5β-androstan-3-one
19468-31-6

17β-hydroxy-19-nor-5β-androstan-3-one

Conditions
ConditionsYield
With potassium hydroxide; hydrogen; palladium on activated charcoal;Inisopropyl alcohol;under 2068.6 - 2327.2 Torr; Yields of byproduct given; Ambient temperature;
16%
7%
With potassium hydroxide; hydrogen; palladium on activated charcoal;Inisopropyl alcohol;under 2068.6 - 2327.2 Torr; Title compound not separated from byproducts; Ambient temperature;
7%
16%
With potassium hydroxide; hydrogen; palladium on activated charcoal;Inisopropyl alcohol;under 2068.6 - 2327.2 Torr; Ambient temperature;
7%
16%
With potassium hydroxide; hydrogen; palladium on activated charcoal;Inisopropyl alcohol;under 2068.6 - 2327.2 Torr; Yield given; Ambient temperature;
7%
16%
Estrone
53-16-7

Estrone

5β‐estrane‐3α,17β‐diol
10002-97-8

5β‐estrane‐3α,17β‐diol

Conditions
ConditionsYield
With hydrogenchloride; platinum;Hydrogenation;
With acetic acid; platinum;Hydrogenation;
Multi-step reaction with 2 steps
1: aluminium isopropylate; isopropyl alcohol
2: aq.-ethanolic HCl; platinum / Hydrogenation
With hydrogenchloride; aluminum isopropoxide; isopropyl alcohol; platinum;
estradiol
50-28-2

estradiol

5β‐estrane‐3α,17β‐diol
10002-97-8

5β‐estrane‐3α,17β‐diol

Conditions
ConditionsYield
With sodium hydroxide; ethanol; ruthenium; at 65 ℃; under 76492.8 Torr; Hydrogenation;
estradiol
50-28-2

estradiol

5β‐estrane‐3α,17β‐diol
10002-97-8

5β‐estrane‐3α,17β‐diol

Conditions
ConditionsYield
With hydrogenchloride; platinum;Hydrogenation;
19-nortestosterone
434-22-0

19-nortestosterone

17β-hydroxy-5α-estran-3-one
1434-85-1

17β-hydroxy-5α-estran-3-one

5β‐estrane‐3α,17β‐diol
10002-97-8

5β‐estrane‐3α,17β‐diol

17β-hydroxy-19-nor-5β-androstan-3-one
19468-31-6

17β-hydroxy-19-nor-5β-androstan-3-one

5β-estrane-3,17-dione
5696-51-5

5β-estrane-3,17-dione

Conditions
ConditionsYield
With chromium(VI) oxide; potassium hydroxide; sulfuric acid; hydrogen; palladium on activated charcoal;Yield given. Multistep reaction. Title compound not separated from byproducts; 1.) 2-propanol, from 40 to 45 psi, RT, 2.) acetone, RT, 30 min;
5β‐estrane‐3α,17β‐diol
10002-97-8

5β‐estrane‐3α,17β‐diol

Conditions
ConditionsYield
With sodium tetrahydroborate; ethanol;
Estrone
53-16-7

Estrone

5β‐estrane‐3α,17β‐diol
10002-97-8

5β‐estrane‐3α,17β‐diol

5β‐estrane‐3β,17β‐diol
37795-40-7

5β‐estrane‐3β,17β‐diol

Conditions
ConditionsYield
With hydrogenchloride; platinum;Hydrogenation;
tetrachloromethane
56-23-5

tetrachloromethane

ethanol
64-17-5

ethanol

estradiol
50-28-2

estradiol

5α.10α-estranediol-(3α.17β)
94424-32-5

5α.10α-estranediol-(3α.17β)

5α.10α-estranediol-(3β.17β)
98920-62-8

5α.10α-estranediol-(3β.17β)

5β‐estrane‐3α,17β‐diol
10002-97-8

5β‐estrane‐3α,17β‐diol

Conditions
ConditionsYield
at 65 ℃; under 76492.8 Torr; Hydrogenation;
17β-hydroxy-19-nor-5β-androstan-3-one
19468-31-6

17β-hydroxy-19-nor-5β-androstan-3-one

5β‐estrane‐3α,17β‐diol
10002-97-8

5β‐estrane‐3α,17β‐diol

3α-hydroxy-19-nor-5β-androstan-17-one
33036-33-8

3α-hydroxy-19-nor-5β-androstan-17-one

5β-estrane-3,17-dione
5696-51-5

5β-estrane-3,17-dione

Conditions
ConditionsYield
for 504h; Rhodotorula mucilaginosa;
3%
9%
80%
hydrogenchloride
7647-01-0,15364-23-5

hydrogenchloride

ethanol
64-17-5

ethanol

estradiol
50-28-2

estradiol

5β‐estrane‐3α,17β‐diol
10002-97-8

5β‐estrane‐3α,17β‐diol

Conditions
ConditionsYield
Hydrogenation;

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