CAS No.22033-87-0,Olesoxime Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22033-87-0
Name:	Olesoxime
Article Data:	3

Formula:	C₂₇H₄₅NO
Molecular Weight:	399.66
Synonyms:	NSC 21311;Olesoxime;TRO 19622;
Density:	1.10g/cm³
Melting Point:	145-148 ºC
Boiling Point:	510 °C at 760 mmHg
Flash Point:	341 °C
PSA:	32.59000
LogP:	7.85800

Synthetic route

: 601-57-0
Cholest-4-en-3-one

: 22033-87-0
cholest-4-en-3-one oxime

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; sodium acetate In methanol; water at 60℃;	90%
With potassium dihydrogenphosphate; hydroxylamine hydrochloride In ethanol for 1h; Heating;

: 22033-87-0
cholest-4-en-3-one oxime

: 601-57-0
Cholest-4-en-3-one

Conditions

Conditions	Yield
With benzeneseleninic anhydride In tetrahydrofuran	80%

: 22033-87-0
cholest-4-en-3-one oxime

: 870-24-6
2-chloroethanamine hydrochloride

: 3-(2'-aminoethoxyimino)-cholest-4-ene

Conditions

Conditions	Yield
With sodium methylate In methanol	80%

: 22033-87-0
cholest-4-en-3-one oxime

A: 601-57-0
Cholest-4-en-3-one

B: 21002-96-0
4-aza-A-homocholest-4a-en-3-one

Conditions

Conditions	Yield
In methanol for 7.5h; Product distribution; Irradiation; between conditions, investigation of steroidal α,β-unsaturated ketone oximes;	A 51% B 33%
In methanol for 7.5h; Irradiation;	A 51 % Turnov. B 33 % Turnov.

: 22033-87-0
cholest-4-en-3-one oxime

A: 3α-Amino-cholesten-4

B: 3β-Amino-cholesten-4

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether

: 22033-87-0
cholest-4-en-3-one oxime

: 108-24-7
acetic anhydride

: 56909-94-5
N-acetyl-cholesta-3,5-dien-3-amine

Conditions

Conditions	Yield
With pyridine
With pyridine for 18h; Heating;

: 22033-87-0
cholest-4-en-3-one oxime

: 108-24-7
acetic anhydride

: 3-Diacetylaminocholesta-3,5-dien

Conditions

Conditions	Yield
With pyridine

: 22033-87-0
cholest-4-en-3-one oxime

: 10062-39-2
(5aR,5bS,7aR,8R,10aS,10bS)-5a,7a-dimethyl-8-((R)-6-methylheptan-2-yl)-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one

Conditions

Conditions	Yield
With thionyl chloride In 1,4-dioxane for 0.333333h; Ambient temperature;	46 % Turnov.

: 22033-87-0
cholest-4-en-3-one oxime

: 1079-66-9
chloro-diphenylphosphine

: 215456-23-8
C39H54NOP

Conditions

Conditions	Yield
With triethylamine In dichloromethane; Petroleum ether at -40℃; for 1.75h;

: 22033-87-0
cholest-4-en-3-one oxime

: C39H56NOP

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Et3N / CH2Cl2; petroleum ether / 1.75 h / -40 °C 2: 9-borobicyclo<3.3.1>nonane / tetrahydrofuran / 40 h / Ambient temperature View Scheme

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Specification

The Olesoxime with the cas number 22033-87-0 is also called N-Hydroxycholest-4-en-3-imine. The systematic name is (8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one oxime. Its molecular formula is C₂₇H₄₅NO. This chemical should be stored at −20°C. The Biological Activity: (1)Neuroprotective and neuroregenerative compound; (2)Rescues motor neurons from axotomy-induced cell death and promotes nerve regeneration following sciatic nerve crush in vivo; (3)Binds directly to two components of the mitochondrial permeability pore, the voltage-dependent anion channel (VDAC) and translocator protein.

The properties of the chemical are: (1)ACD/LogP: 9.85; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.85; (4)ACD/LogD (pH 7.4): 9.85; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 5408799.5; (8)ACD/KOC (pH 7.4): 5408746; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 32.59 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 120.83 cm³; (15)Molar Volume: 361.3 cm³; (16)Polarizability: 47.9×10^-24cm³; (17)Surface Tension: 37.6 dyne/cm; (18)Enthalpy of Vaporization: 89.87 kJ/mol; (19)Vapour Pressure: 1.56×10^-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=NO)CC[C@]34C)C
(2)InChI: InChI=1/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25,29H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
(3)InChIKey: QNTASHOAVRSLMD-GYKMGIIDBY