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119302-20-4

Basic Information
CAS No.: 119302-20-4
Name: (2b,3a,5a,16b,17b)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol
Article Data: 5
Cas Database
Molecular Structure:
Molecular Structure of 119302-20-4 ((2b,3a,5a,16b,17b)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol)
Formula: C27H46N2O3
Molecular Weight: 446.674
Synonyms: 2b-(4-Morpholinyl)-16b-(1-pyrrolidinyl)-5a-androstane-3a,17b-diol;Androstane-3,17-diol,2-(4-morpholinyl)-16-(1-pyrrolidinyl)-, (2b,3a,5a,16b,17b)-;
EINECS: 601-595-5
Density: 1.163 g/cm3
Melting Point: 161-169 °C
Boiling Point: 565.4 °C at 760 mmHg
Flash Point: 295.7 °C
Solubility: N/A
Appearance: Whitish or yellowish crystalline powder
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 56.17000
LogP: 3.01170
Synthetic route

3α-hydroxy-2β-(4-morpholinyl)-16β-(1-pyrrolidinyl)-5α-androstan-17-one

119302-20-4

(2β,3α,5α,16β,17β)-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol

Conditions
ConditionsYield
With sodium tetrahydroborate In methanol at -3℃; for 2h;92.7%
110-91-8

morpholine

119302-19-1

(2α,3α,5α,16β,17β)-2,3-epoxy-16-(1-pyrrolidinyl)-androstan-17-ol

119302-20-4

(2β,3α,5α,16β,17β)-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol

Conditions
ConditionsYield
toluene-4-sulfonic acid In water at 20 - 110℃; for 40h; Product distribution / selectivity; Heating / reflux;89.7%
methanesulfonic acid In water at 20 - 110℃; for 40h; Product distribution / selectivity; Heating / reflux;
In water for 72h; Product distribution / selectivity; Heating / reflux;

rocuronium bromide

A

119302-24-8

(2β,3α,5α,16β,17β)-17-acetoxy-3-hydroxy-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane

B

119302-20-4

(2β,3α,5α,16β,17β)-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 5h; Product distribution / selectivity; Heating / reflux;A 67.5%
B n/a
123-75-1

pyrrolidine

2β-(4-morpholinyl)-3α-ol-16β-bromo-17-one-5α-androstane

119302-20-4

(2β,3α,5α,16β,17β)-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol

Conditions
ConditionsYield
In acetonitrile Reflux;62.1%

rocuronium bromide

A

119302-24-8

(2β,3α,5α,16β,17β)-17-acetoxy-3-hydroxy-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane

B

119302-20-4

(2β,3α,5α,16β,17β)-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol

C

119302-86-2

1-[(2β, 3α, 5α, 16β, 17β)-2-(4-morpholinyl)-androstan-16-yl-]-1-(2-propenyl)-pyrrolidinium bromide-3,17-diol

Conditions
ConditionsYield
In dimethyl acetamide (DMA) for 3h; Product distribution / selectivity; Heating / reflux;
sodium thiophenolate In isopropyl alcohol for 4h; Product distribution / selectivity; Heating / reflux;
In N,N-dimethyl-formamide for 5h; Product distribution / selectivity; Heating / reflux;

(2α,3α,5α,16β,17β)2,3-epoxy-16-(1-pyrrolidinyl)-androstan-17-ol

119302-20-4

(2β,3α,5α,16β,17β)-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol

Conditions
ConditionsYield
In morpholine; water
110-91-8

morpholine

119302-19-1

(2α,3α,5α,16β,17β)-2,3-epoxy-16-(1-pyrrolidinyl)-androstan-17-ol

A

119302-20-4

(2β,3α,5α,16β,17β)-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol

B

(2β,3α,5α,16α,17β)-2-(4-morpholinyl)-16-(1-pyrrolidinyl)-androstane-3,17-diol

C

930092-98-1

2α,3α-epoxy-16α-(pyrrolidin-1-yl)-17β-hydroxy-5α-androstan

D

144209-33-6

C27H46N2O2

Conditions
ConditionsYield
zinc diacetate In water at 20 - 110℃; for 40h; Product distribution / selectivity; Heating / reflux;
110-91-8

morpholine

119302-19-1

(2α,3α,5α,16β,17β)-2,3-epoxy-16-(1-pyrrolidinyl)-androstan-17-ol

A

119302-20-4

(2β,3α,5α,16β,17β)-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol

B

930092-98-1

2α,3α-epoxy-16α-(pyrrolidin-1-yl)-17β-hydroxy-5α-androstan

C

C23H39NO3

D

144209-33-6

C27H46N2O2

Conditions
ConditionsYield
In water at 20 - 110℃; for 40h; Product distribution / selectivity; Heating / reflux;
110-91-8

morpholine

119302-19-1

(2α,3α,5α,16β,17β)-2,3-epoxy-16-(1-pyrrolidinyl)-androstan-17-ol

A

119302-20-4

(2β,3α,5α,16β,17β)-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol

B

930092-98-1

2α,3α-epoxy-16α-(pyrrolidin-1-yl)-17β-hydroxy-5α-androstan

C

C23H39NO3

Conditions
ConditionsYield
hydrogenchloride In water at 20 - 110℃; for 40h; Product distribution / selectivity; Heating / reflux;
toluene-4-sulfonic acid In water at 20 - 110℃; for 40h; Product distribution / selectivity; Heating / reflux;
110-91-8

morpholine

119302-19-1

(2α,3α,5α,16β,17β)-2,3-epoxy-16-(1-pyrrolidinyl)-androstan-17-ol

A

119302-20-4

(2β,3α,5α,16β,17β)-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol

B

144209-33-6

C27H46N2O2

Conditions
ConditionsYield
sulfuric acid In water at 20 - 110℃; for 40h; Product distribution / selectivity; Heating / reflux;
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    Product Name: (2b,3a,5a,16b,17b)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol Synonyms: Androstane-3,17-diol, 2-(4-morpholinyl)-16-(1-pyrrolidinyl);(2b,3a,5a,16b,17b)-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17

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  • (2b,3a,5a,16b,17b)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol

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    119302-20-4

    (2b,3a,5a,16b,17b)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol

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Chemistry

Product Name: (2b,3a,5a,16b,17b)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol
Molecular Structure:

Molecular Formula: C27H46N2O3
Molecular Weight: 446.67
Synonyms of (2b,3a,5a,16b,17b)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol (CAS NO.119302-20-4): Androstane-3,17-diol,2-(4-morpholinyl)-16-(1-pyrrolidinyl)-, (2b,3a,5a,16b,17b)- ; 3,17-dihydroxy-2-(4-morpholinyl)-16-(1-pyrroliny)-androstane ; 2,3-Epoxy-1H-cyclopenta[a]phenanthrene,anddrostan-17-ol deriv ; (2β,3ɑ,5ɑ,16ɑ,17β)-2-(4-morpholinyl)-16-(1-pyrrolidinyl)-androstane-3,17-diol
CAS NO: 119302-20-4
Product Categories: INTERMEDIATESOFROCURONIUMBROMIDE 
Polar Surface Area: 56.17 Å2
Index of Refraction of (2b,3a,5a,16b,17b)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol (CAS NO.119302-20-4): 1.574
Molar Refractivity: 126.67 cm3
Molar Volume: 383.7 cm3
Surface Tension: 49.5 dyne/cm
Density: 1.163 g/cm3
Flash Point: 295.7 °C
Enthalpy of Vaporization: 97.56 kJ/mol
Boiling Point: 565.4 °C at 760 mmHg
Vapour Pressure of (2b,3a,5a,16b,17b)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol (CAS NO.119302-20-4): 3.88E-15 mmHg at 25 °C