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Cas Database

1225-01-0

1225-01-0

Identification

  • Product Name:Estran-17-one,3-hydroxy-, (3a,5a)-

  • CAS Number: 1225-01-0

  • EINECS:

  • Molecular Weight:276.419

  • Molecular Formula: C18H28O2

  • HS Code:

  • Mol File:1225-01-0.mol

Synonyms:5a-Estran-17-one,3a-hydroxy- (6CI,7CI,8CI);19-Norandrosterone;3a-Hydroxy-5a-estran-17-one;5a-Estran-3a-ol-17-one;

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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

Supplier and reference price

  • Manufacture/Brand
  • Product Description
  • Packaging
  • Price
  • Delivery
  • Purchase
  • Manufacture/Brand:Cayman Chemical
  • Product Description:19-Norandrosterone ≥98%
  • Packaging:10mg
  • Price:$ 784
  • Delivery:In stock
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  • Manufacture/Brand:Cayman Chemical
  • Product Description:19-Norandrosterone ≥98%
  • Packaging:5mg
  • Price:$ 441
  • Delivery:In stock
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  • Manufacture/Brand:Cayman Chemical
  • Product Description:19-Norandrosterone ≥98%
  • Packaging:1mg
  • Price:$ 98
  • Delivery:In stock
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Relevant articles and documentsAll total 29 Articles be found

Self-aldol condensation of unmodified aldehydes catalysed by secondary-amine immobilised in FSM-16 silica

Shimizu, Ken-Ichi,Hayashi, Eidai,Inokuchi, Takuro,Kodama, Tatsuya,Hagiwara, Hisahiro,Kitayama, Yoshie

, p. 9073 - 9075 (2002)

Self-aldol condensation of unmodified aldehydes was catalysed effectively by N-metlyl-3-aminopropylated FSM-16 mesoporous silica, whose activity was higher than that of homogeneous amine catalyst.

Condensation reactions of propanal over CexZr 1-xO2 mixed oxide catalysts

Gangadharan, Anirudhan,Shen, Min,Sooknoi, Tawan,Resasco, Daniel E.,Mallinson, Richard G.

, p. 80 - 91 (2010)

Vapor phase condensation reactions of propanal were investigated over CexZr1-xO2 mixed oxides as a model reaction to produce gasoline range molecules from short aldehydes found in bio-oil mixtures. Several operating parameters were investigated. These included the type of carrier gas used (H2 or He) and the incorporation of acids and water in the feed. Propanal is converted to higher carbon chain oxygenates on Ce xZr1-xO2 by two pathways, aldol condensation and ketonization. The major products of these condensation reactions include 3-pentanone, 2-methyl-2-pentenal, 2-methylpentanal, 3-heptanone and 4-methyl-3-heptanone. It is proposed that the primary intermediate for the ketonization path is a surface carboxylate. The presence of acids in the feed inhibits the aldol condensation pathway by competitive adsorption that reduces the aldehyde conversion. Water also promotes ketonization and inhibits aldol condensation by increasing the concentration of surface hydroxyl groups that enhance the formation of surface carboxylates with the aldehyde. Hydrogen enhances cracking and production of light oxygenates and hydrocarbons. The light oxygenates may in turn be reincorporated into the reaction path, giving secondary products. However, the hydrocarbons do not react further. Analysis of the fresh and spent catalysts by XPS showed varying degrees of reduction of the oxide under different operating conditions that were consistent with the reaction results. Changing the proportion of the parent oxides showed that increased Zr favored formation of aldol products while increased Ce favored ketonization. This occurs by shifting the balance of the acid-base properties of the active sites.

-

Astle,Pinns

, p. 56,57 (1959)

-

Self-aldol condensation of aldehydes over Lewis acidic rare-earth cations stabilized by zeolites

Yan, Tingting,Yao, Sikai,Dai, Weili,Wu, Guangjun,Guan, Naijia,Li, Landong

, p. 595 - 605 (2021)

The self-aldol condensation of aldehydes was investigated with rare-earth cations stabilized by [Si]Beta zeolites in parallel with bulk rare-earth metal oxides. Good catalytic performance was achieved with all Lewis acidic rare-earth cations stabilized by

Development and evaluation of a candidate reference measurement procedure for the determination of 19-norandrosterone in human urine using isotope-dilution liquid chromatography/tandem mass spectrometry

Tai, Susan S.-C.,Xu, Bei,Sniegoski, Lorna T.,Welch, Michael J.

, p. 3393 - 3398 (2006)

19-Norandrosterone (19-NA) is the major metabolite of the steroid nandrolone, one of the most commonly abused anabolic androgenic agents. 19-NA exists mainly as the glucuronide form in human urine. A candidate reference measurement procedure for 19-NA in urine involving isotope dilution coupled with liquid chromatography/tandem mass spectrometry (LC/MS/MS) has been developed and critically evaluated. The 19-NA glucuronide was enzymatically hydrolyzed, and the 19-NA along with its internal standard (deuterated 19-NA) was extracted from urine using liquid-liquid extraction prior to reversed-phase LC/MS/MS. The accuracy of the measurement of 19-NA was evaluated by a recovery study of added 19-NA. The recovery of the added 19-NA ranged from 99.1 to 101.4%. This method was applied to the determination of 19-NA in urine samples fortified with 19-NA glucuronide at three different concentrations (equivalent to 1, 2, and 10 ng/mL 19-NA). Excellent reproducibility was obtained with within-set coefficients of variation (CVs) ranging from 0.2 to 1.2%, and between-set CVs ranging from 0.1 to 0.5%. Excellent linearity was also obtained with correlation coefficients of all linear regression lines (measured intensity ratios vs mass ratios) ranging from 0.9997 to 0.9999. The detection limit for 19-NA at a signal-to-noise ratio of ~3 was 16 pg. The mean results of 19-NA yielded from hydrolysis of 19-NA glucuronide compared well with the theoretical values (calculated from the conversion of 19-NA glucuronide to 19-NA) with absolute relative differences ranging from 0.2 to 1.4%. This candidate reference measurement procedure for 19-NA in urine, which demonstrates good accuracy and precision and low susceptibility to interferences, can be used to provide an accuracy base to which routine methods for 19-NA can be compared and that will serve as a standard of higher order for measurement traceability.

Accelerating Amine-Catalyzed Asymmetric Reactions by Intermolecular Cooperative Thiourea/Oxime Hydrogen-Bond Catalysis

Afewerki, Samson,Córdova, Armando,Ibrahem, Ismail,Ma, Guangning,Zhang, Kaiheng

supporting information, p. 3043 - 3049 (2021/07/22)

The ability of intermolecular cooperative thiourea/oxime hydrogen-bond catalysis for improving and accelerating asymmetric aminocatalysis is presented. The two readily available hydrogen-bond-donating catalysts operates in synergy with a chiral amine catalyst to accomplish highly stereoselective transformations. The synergistic catalyst systems simultaneously activate both electrophiles and nucleophiles, and make the transformations more chemo- and stereoselective. This was exemplified by performing co-catalytic enantioselective direct intermolecular α-alkylation reactions of aldehydes, direct aldol reactions, and asymmetric conjugate reactions, which gave the corresponding products in high yields and enantiomeric ratios.

Kinetic Treatments for Catalyst Activation and Deactivation Processes based on Variable Time Normalization Analysis

Martínez-Carrión, Alicia,Howlett, Michael G.,Alamillo-Ferrer, Carla,Clayton, Adam D.,Bourne, Richard A.,Codina, Anna,Vidal-Ferran, Anton,Adams, Ralph W.,Burés, Jordi

supporting information, p. 10189 - 10193 (2019/06/25)

Progress reaction profiles are affected by both catalyst activation and deactivation processes occurring alongside the main reaction. These processes complicate the kinetic analysis of reactions, often directing researchers toward incorrect conclusions. We report the application of two kinetic treatments, based on variable time normalization analysis, to reactions involving catalyst activation and deactivation processes. The first kinetic treatment allows the removal of induction periods or the effect of rate perturbations associated with catalyst deactivation from kinetic profiles when the quantity of active catalyst can be measured. The second treatment allows the estimation of the activation or deactivation profile of the catalyst when the order of the reactants for the main reaction is known. Both treatments facilitate kinetic analysis of reactions suffering catalyst activation or deactivation processes.

Organic compound as well as preparation method and application thereof

-

Paragraph 0039; 0041; 0058; 0060, (2019/10/04)

The invention relates to an organic compound as well as a preparation method and application thereof. The organic compound has a structural formula I shown in the specification, in the formula, R4 is H; R1, R2 and R3 are alkyl or H of which the carbon number is an integer; the total carbon number of R1, R2, R3 and R4 is 0-3; R5 and R6 are of an identical structure and are both saturated alkyl with 1-3 carbon atoms; A is a polyoxy alkenyl ether group, a sulfation polyoxy alkenyl ether group, an aliphatic, alicyclic or aromatic group which forms an ester group with adjacent oxygen atoms, or an aliphatic, alicyclic or aromatic group which comprises other ester groups. Due to a carbon chain structure similar to Guerbet alcohol and an alcoholic hydroxyl derivative structure at a para-site in the organic compound, the organic compound has excellent low-temperature properties and good degradability in a surfactant, ester type lubricating oil or a plasticizer.

Method for preparing high-carbon branched-chain secondary alcohol

-

Paragraph 0037; 0038, (2019/10/01)

The invention relates to a method for preparing high-carbon branched-chain secondary alcohol. The method comprises the steps: preparing branched-chain olefin aldehyde through self-condensation of linear aliphatic aldehyde or branched-chain aliphatic aldehyde without tertiary carbon, performing a gas-liquid heterogeneous condensation reaction on the branched-chain olefin aldehyde and aliphatic ketone without tertiary carbon under the catalysis action of organic base so as to prepare branched-chain dienone, and performing hydrogenation on the branched-chain dienone so as to prepare unsaturated or saturated branched-chain secondary alcohol. The method has wide sources of raw materials and low cost, and the product has a certain structure, and is particularly suitable for preparation of secondary alcohol polyoxyethylene ether and secondary alcohol polyoxyethylene ether derivatives which have narrow molecular weight distribution; and the alcoholic hydroxyl group of the product is secondary alcohol which has a branched-chain structure but no tertiary carbon, the low temperature performance is excellent, and the biodegradability is good.

Process route upstream and downstream products

Process route

5α-estrane-3,17-dione
5696-58-2

5α-estrane-3,17-dione

19-Norandrosterone
1225-01-0

19-Norandrosterone

Conditions
Conditions Yield
With potassium tri-sec-butyl-borohydride; In tetrahydrofuran; at -78 ℃; for 1.5h;
86%
With potassium tri-sec-butyl-borohydride; In tetrahydrofuran; at -78 ℃; regioselective reaction;
55%
Sodium; (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-((3R,5S,8R,9R,10S,13S,14S)-13-methyl-17-oxo-hexadecahydro-cyclopenta[a]phenanthren-3-yloxy)-tetrahydro-pyran-2-carboxylate

Sodium; (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-((3R,5S,8R,9R,10S,13S,14S)-13-methyl-17-oxo-hexadecahydro-cyclopenta[a]phenanthren-3-yloxy)-tetrahydro-pyran-2-carboxylate

19-Norandrosterone
1225-01-0

19-Norandrosterone

Conditions
Conditions Yield
With β-glucuronidase; phosphoric acid; In phosphate buffer; at 50 ℃; for 1h; pH=6.3;
19-nortestosterone
434-22-0

19-nortestosterone

19-Norandrosterone
1225-01-0

19-Norandrosterone

Conditions
Conditions Yield
Multi-step reaction with 3 steps
1: ammonia; lithium / tetrahydrofuran / -78 °C
2: acetone
3: potassium tri-sec-butyl-borohydride / tetrahydrofuran / -78 °C
With ammonia; lithium; potassium tri-sec-butyl-borohydride; In tetrahydrofuran; acetone; 2: Jones oxidation;
17β-hydroxy-5α-estran-3-one
1434-85-1

17β-hydroxy-5α-estran-3-one

19-Norandrosterone
1225-01-0

19-Norandrosterone

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: acetone
2: potassium tri-sec-butyl-borohydride / tetrahydrofuran / -78 °C
With potassium tri-sec-butyl-borohydride; In tetrahydrofuran; acetone; 1: Jones oxidation;
17β-hydroxy-5α-estran-3-one
1434-85-1

17β-hydroxy-5α-estran-3-one

5α‐estrane‐3α,17β‐diol
10002-95-6

5α‐estrane‐3α,17β‐diol

5α‐estrane‐3β,17β‐diol
1816-75-7

5α‐estrane‐3β,17β‐diol

19-Norandrosterone
1225-01-0

19-Norandrosterone

19-nor-5α-androstan-3β-ol-17-one
10002-93-4

19-nor-5α-androstan-3β-ol-17-one

Conditions
Conditions Yield
for 336h; Further byproducts given; Rhodotorula mucilaginosa;
15%
18%
30%
15%
17β-hydroxy-5α-estran-3-one
1434-85-1

17β-hydroxy-5α-estran-3-one

5α‐estrane‐3α,17β‐diol
10002-95-6

5α‐estrane‐3α,17β‐diol

19-Norandrosterone
1225-01-0

19-Norandrosterone

5α-estrane-3,17-dione
5696-58-2

5α-estrane-3,17-dione

19-nor-5α-androstan-3β-ol-17-one
10002-93-4

19-nor-5α-androstan-3β-ol-17-one

Conditions
Conditions Yield
for 336h; Further byproducts given; Rhodotorula mucilaginosa;
15%
18%
15%
11%
propionaldehyde
123-38-6

propionaldehyde

2-methyl-2-pentenal
14250-96-5,16958-22-8,623-36-9

2-methyl-2-pentenal

Conditions
Conditions Yield
With sodium hydroxide; In water; at 60 ℃; for 1.5h;
91%
With trimethylsilyl iodide; In acetonitrile; at 50 ℃;
86%
With pyridine; In cyclohexane; at 40 ℃; for 3.5h; Reagent/catalyst;
85%
With aniline hydrochloride; In N,N-dimethyl acetamide; at 125 ℃; for 3h; Autoclave;
69%
With (S)-2-(2,3-bis(dicyclohexylamino)cyclopropenimine)-3-phenylpropan-1-ol; In acetonitrile; at 20 ℃; for 4h; Solvent; Time;
60%
propionaldehyde; With water; at 20 ℃; for 24h;
With sodium tetrahydroborate; In methanol; at 0 ℃; Further stages.;
56%
at 50 - 62 ℃; Gegenwart eines sauren Kationen-Austauschers;
cobalt salt; at 120 - 160 ℃; Rate constant; catalyst concentration, temperature;
With sodium acetate; at 100 ℃;
With sodium hydroxide;
With potassium hydroxide; man neutralisiert mit Schwefelsaeure mit Wasserdampf destilliert und fraktioniert;
/BRN= 506010/;
N-methyl-3-aminopropylated FSM-16 mesoporous silica; In toluene; for 1h; Heating;
83 % Chromat.
With aminopropyltrimethoxysilane-functionalized chitosan; at 100 ℃; for 1h; Neat (no solvent);
With Ce0.25Zr0.75O2; at 400 ℃; for 0.25h; under 760.051 Torr;
23.3 %Chromat.
With magnesium oxide; at 149.84 ℃; Temperature; Catalytic behavior; Inert atmosphere;
10 %Chromat.
With potassium carbonate; sodium hydroxide; In water; at 20 ℃;
With 18-crown-6 ether; wild type 4-oxalocrotonate tautomerase F50A mutant; In aq. phosphate buffer; at 20 ℃; for 20h; pH=7.3; Reagent/catalyst; Enzymatic reaction;
With sodium hydroxide; In water; at 10 - 45 ℃; for 1.5h; Temperature; Reagent/catalyst;
With 4-oxalocrotonate tautomerase from Pseudomonasputida mt-2, M45Y/F50V mutant; In aq. phosphate buffer; at 20 ℃; for 20h; pH=7.6; Reagent/catalyst; Time; Catalytic behavior; Enzymatic reaction;
With pyrrolidine; In hexane; at 20 ℃; for 18h;
With triethylamine; at 30 ℃; for 3h; under 3750.38 Torr; Temperature; Pressure;
With sodium hydroxide; In water; at 20 ℃; for 2h; under 760.051 Torr;
With (2S)-2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine; 2-cyano-2-(hydroxyimino)acetic acid methylester; In benzene-d6; at 22 ℃; for 5h; Reagent/catalyst;
propionaldehyde
123-38-6

propionaldehyde

2-methyl-2-pentenal
14250-96-5,16958-22-8,623-36-9

2-methyl-2-pentenal

3-hydroxyl-2-methylpentanal
615-30-5

3-hydroxyl-2-methylpentanal

Conditions
Conditions Yield
With L-proline; In dimethylsulfoxide-d6; at 26.84 ℃;
With aminopropyltrimethoxysilane-functionalized chitosan; at 100 ℃; for 2h; Neat (no solvent);
With Amberilte IRA-401 (strong anion-exchange resin with quaternary amino groups, based on styrene-divinylbenzene matrix) preactivated with 10percent sodium hydroxide; In water; at 35 ℃; for 1h; pH=Ca. 5;
With Lewis acidic Y(OSi)(OH)2 stabilized by Y/Beta zeolites; at 299.84 ℃; under 760.051 Torr; Reagent/catalyst; Inert atmosphere;
propylene glycol
57-55-6,63625-56-9

propylene glycol

propan-1-ol
71-23-8

propan-1-ol

2-ethyl-4-methyl-1,3-dioxolane
4359-46-0

2-ethyl-4-methyl-1,3-dioxolane

2-methyl-2-pentenal
14250-96-5,16958-22-8,623-36-9

2-methyl-2-pentenal

propionaldehyde
123-38-6

propionaldehyde

Conditions
Conditions Yield
With [C6H3-2,6-(OP(tBu)2)2]IrH2; trifluorormethanesulfonic acid; water; hydrogen; In 1,4-dioxane; at 200 ℃; under 5171.62 Torr; Concentration; Autoclave;
12%
17%
8%
6%
propionaldehyde
123-38-6

propionaldehyde

2-methylpropenal
78-85-3,25120-30-3

2-methylpropenal

2-methyl-2-pentenal
14250-96-5,16958-22-8,623-36-9

2-methyl-2-pentenal

Conditions
Conditions Yield
With aniline hydrochloride; In N,N-dimethyl acetamide; at 125 ℃; for 3h; Autoclave;
30%
17%

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