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64168-68-9

Basic Information
CAS No.: 64168-68-9
Name: Spiro[1-azabicyclo[2.2.2]octane-3,2'-oxirane] hydrochloride
Article Data: 1
Molecular Structure:
Molecular Structure of 64168-68-9 (Spiro[1-azabicyclo[2.2.2]octane-3,2'-oxirane] hydrochloride)
Formula: C8H14ClNO
Molecular Weight: 175.658
Synonyms: Spiro[1-azabicyclo[2.2.2]octane-3,2'-oxirane],hydrochloride (9CI);
Boiling Point: 250.7 °C at 760 mmHg
Flash Point: 105.4 °C
PSA: 15.77000
LogP: 1.22090
Synthetic route
1774-47-6

trimethylsulfoxonium iodide

1193-65-3

3-quinuclidinone hydrochloride

64168-68-9

Spiro- Hydrochlorid

Conditions
ConditionsYield
Stage #1: trimethylsulfoxonium iodide With potassium tert-butylate In dimethyl sulfoxide at 25 - 30℃; for 0.5h; Inert atmosphere;
Stage #2: 3-quinuclidinone hydrochloride In dimethyl sulfoxide at 25℃; for 8h; Inert atmosphere;
70%
64168-68-9

Spiro- Hydrochlorid

107220-26-8

3-hydroxy-3-(mercaptomethyl)quinuclidine

Conditions
ConditionsYield
With hydrogen sulfide; sodium hydroxide In water at 45℃; for 2.5h;50%
64168-68-9

Spiro- Hydrochlorid

trans-cevimeline

cevimeline

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrogen sulfide; sodium hydroxide / water / 2.5 h / 45 °C
2: toluene-4-sulfonic acid / isopropyl alcohol / 3 h / 70 °C
View Scheme
64168-68-9

Spiro- Hydrochlorid

173553-37-2

2-methylspiro (1,3-oxathiolane-5,3')quinuclidine hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrogen sulfide; sodium hydroxide / water / 2.5 h / 45 °C
2: boron trifluoride diethyl etherate / dichloromethane
View Scheme
Downstream Products
173553-37-2
107220-26-8
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  • SPIRO[1-AZABICYCLO{2,2,2]OCTANE-3,2'-OXIRANE] HYDROCHLORIDE  CAS NO.64168-68-9

  • Casno:

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    SPIRO[1-AZABICYCLO{2,2,2]OCTANE-3,2'-OXIRANE] HYDROCHLORIDE CAS NO.64168-68-9

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  • Yurui hot sale CAS NO.64168-68-9

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    64168-68-9

    Yurui hot sale CAS NO.64168-68-9

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 1.0-2.0

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  • Spiro[1-azabicyclo[2.2.2]octane-3,2'-oxirane],hydrochloride (1:1)

  • Casno:

    64168-68-9

    Spiro[1-azabicyclo[2.2.2]octane-3,2'-oxirane],hydrochloride (1:1)

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    United Scientific Company Located in Shanghai of China , is a competitive player in the global specialty and fine chemical market. Fenghua has both the expertise and flexibility to produce a wide range of chemicals. Focusing on developing the innovat

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Specification

The systematic name of Spiro[1-azabicyclo[2.2.2]octane-3,2'-oxirane] hydrochloride is Spiro[4-azabicyclo[2.2.2]octane-2,2'-oxirane] hydrochloride (1:1). With the CAS registry number 64168-68-9, it is also named as Spiro[1-azabicyclo[2.2.2]octane-3,2'-oxirane] HCl. In addition, In addition, its molecular formula is C8H14ClNO and its molecular weight is 175.66. 

The other characteristics of Spiro[1-azabicyclo[2.2.2]octane-3,2'-oxirane] hydrochloride can be summarized as: (1)ACD/LogP: 0.83; (2)of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)H bond acceptors: 2; (8)H bond donors: 0; (9)Freely Rotating Bonds: 0; (10)Polar Surface Area: 15.77 Å2; (11)Flash Point: 105.4 °C; (12)Enthalpy of Vaporization: 49.78 kJ/mol; (13)Boiling Point: 250.7 °C at 760 mmHg; (14)Vapour Pressure: 0.017 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Cl.C1CN2CCC1C3(C2)CO3
(2)InChI:InChI=1/C8H13NO.ClH/c1-3-9-4-2-7(1)8(5-9)6-10-8;/h7H,1-6H2;1H
(3)InChIKey:GCLCYDKLKBIAOF-UHFFFAOYAO
(4)Std. InChI:InChI=1S/C8H13NO.ClH/c1-3-9-4-2-7(1)8(5-9)6-10-8;/h7H,1-6H2;1H
(5)Std. InChIKey:GCLCYDKLKBIAOF-UHFFFAOYSA-N