Product Name

  • Name

    3-Amino-3-azabicyclo[3.3.0]octane hydrochloride

  • EINECS 261-131-9
  • CAS No. 58108-05-7
  • Article Data4
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 170-174 °C(lit.)
  • Formula C7H14N2.HCl
  • Boiling Point 229.9 °C at 760 mmHg
  • Molecular Weight 162.662
  • Flash Point 92.9 °C
  • Transport Information
  • Appearance light yellow brown powder
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 58108-05-7 (3-Amino-3-azabicyclo[3.3.0]octane hydrochloride)
  • Hazard Symbols IrritantXi
  • Synonyms Cyclopenta[c]pyrrol-2(1H)-amine,hexahydro-, monohydrochloride (9CI);2(1H)-Aminohexahydrocyclopenta[c]pyrrolehydrochloride;N-Amino-3-azabicyclo[3.3.0]octane hydrochloride;
  • PSA 29.26000
  • LogP 2.03220

Synthetic route

N-amino-aza-3-bicyclo<3.3.0>octane
54528-00-6

N-amino-aza-3-bicyclo<3.3.0>octane

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride
58108-05-7

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

Conditions
ConditionsYield
With hydrogenchloride96%
N-amino-1,2-cyclopentanedicarboximide

N-amino-1,2-cyclopentanedicarboximide

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride
58108-05-7

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

Conditions
ConditionsYield
Stage #1: N-amino-1,2-cyclopentanedicarboximide With aluminum (III) chloride In tetrahydrofuran at 45℃; for 0.333333h; Large scale;
Stage #2: With sodium tetrahydroborate In tetrahydrofuran for 6h; Reflux; Large scale;
Stage #3: With hydrogenchloride In tetrahydrofuran pH=3; Solvent; Temperature; Large scale;		81.3%
Multi-step reaction with 2 steps
1: acetic acid; pyrographite; ruthenium(III) chloride trihydrate; hydrogen / water / 16 h / 140 °C / 60006 Torr / Autoclave
2: hydrogenchloride
View Scheme
gliclazide
21187-98-4

gliclazide

A

toluene-4-sulfonamide
70-55-3

toluene-4-sulfonamide

B

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride
58108-05-7

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

Conditions
ConditionsYield
With chloride ions In various solvent(s) at 37℃; for 24h; Product distribution; various concentrations of anions and cations, with and without human serum proteins;
cis-cyclopentane-1,2-dimethanol

cis-cyclopentane-1,2-dimethanol

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride
58108-05-7

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

Conditions
ConditionsYield
With hydrogenchloride; hydrazine hydrochloride In water at 140℃; under 1672.11 - 4256.29 Torr; for 5h; Autoclave;
cis-cyclopentane-1,2-dimesylate

cis-cyclopentane-1,2-dimesylate

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride
58108-05-7

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

Conditions
ConditionsYield
With hydrogenchloride; hydrazine hydrochloride In water for 4h; Reflux;
cis-1,2-dichloromethylcyclopentane

cis-1,2-dichloromethylcyclopentane

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride
58108-05-7

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

Conditions
ConditionsYield
With hydrogenchloride; hydrazine hydrochloride In water for 10h; Reflux;
cis-1-hydroxymethyl-2-chloromethylcyclopentane

cis-1-hydroxymethyl-2-chloromethylcyclopentane

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride
58108-05-7

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

Conditions
ConditionsYield
With hydrogenchloride; hydrazine hydrochloride In water at 115 - 120℃; under 1140.08 - 1900.13 Torr; Autoclave;
3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride
58108-05-7

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

4-toluenesulfonylurea
1694-06-0

4-toluenesulfonylurea

gliclazide
21187-98-4

gliclazide

Conditions
ConditionsYield
In toluene for 3h; Reflux;86%
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid
796875-26-8

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride
58108-05-7

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

1-(4-chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid (hexahydro-cyclopenta[c]pyrrol-2-yl)-amide

1-(4-chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid (hexahydro-cyclopenta[c]pyrrol-2-yl)-amide

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 16h;84%
benzaldehyde
100-52-7

benzaldehyde

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride
58108-05-7

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

(E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylmethanimine

(E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylmethanimine

Conditions
ConditionsYield
With magnesium sulfate; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;71%
3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride
58108-05-7

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

phenylpropyolic acid
637-44-5

phenylpropyolic acid

N-(hexahydrocyclopenta[c]pyrrol-2(1H)-yl)-3-phenylpropiolamide

N-(hexahydrocyclopenta[c]pyrrol-2(1H)-yl)-3-phenylpropiolamide

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃; for 2h;50%
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
863034-64-4, 1029820-46-9

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride
58108-05-7

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

5-(4-chloro-phenyl)-1-(2,4-dichloro-phenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid (hexahydro-cyclopenta[c]pyrrol-2-yl)-amide

5-(4-chloro-phenyl)-1-(2,4-dichloro-phenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid (hexahydro-cyclopenta[c]pyrrol-2-yl)-amide

Conditions
ConditionsYield
With 1-hydroxybenzotriazol-hydrate; triethylamine In dichloromethane at 28 - 29℃; for 0.5h;34%
formaldehyd
50-00-0

formaldehyd

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride
58108-05-7

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

(3aR,6aS)-cis-N-methylenehexahydrocyclopenta[c]pyrrol-2(1H)-amine
1190890-65-3

(3aR,6aS)-cis-N-methylenehexahydrocyclopenta[c]pyrrol-2(1H)-amine

Conditions
ConditionsYield
With sodium acetate In water
3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride
58108-05-7

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

rac-4-[(3S,3aS,6aR)-2-[(E)-benzylideneamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]benzonitrile

rac-4-[(3S,3aS,6aR)-2-[(E)-benzylideneamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]benzonitrile

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: magnesium sulfate; N-ethyl-N,N-diisopropylamine / dichloromethane / 20 °C
2: tris[2-phenylpyridinato-C2,N]iridium(III); lithium acetate / dimethyl sulfoxide / 0.17 h / 40 °C / Inert atmosphere; Irradiation
View Scheme
3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride
58108-05-7

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

phenyl chloroformate
1885-14-9

phenyl chloroformate

phenyl hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamate
700359-75-7

phenyl hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamate

Conditions
ConditionsYield
With TEA In dichloromethane at 0 - 20℃; for 3h;
3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride
58108-05-7

3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

3-phenyl-5a,6,7,8,8a,9-hexahydro-1H,5H-cyclopenta[d]pyrazolo[1,2-a]pyridazin-1-one

3-phenyl-5a,6,7,8,8a,9-hexahydro-1H,5H-cyclopenta[d]pyrazolo[1,2-a]pyridazin-1-one

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: triethylamine / tetrahydrofuran / 2 h / 20 °C
2: copper(ll) bromide; Bathocuproine / chlorobenzene / 0.5 h / Reflux
View Scheme

3-Amino-3-azabicyclo[3.3.0]octane hydrochloride Specification

The Cyclopenta[c]pyrrol-2(1H)-amine,hexahydro-, hydrochloride (1:1), with the CAS registry number 58108-05-7, is also known as Cyclopenta[c]pyrrol-2(1H)-amine, hexahydro-, hydrochloride (1:1). It belongs to the product categories of Pyrrolidines; Building Blocks; Heterocyclic Building Blocks. Its EINECS registry number is 261-131-9. This chemical's molecular formula is C7H14N2.HCl and molecular weight is 162.66. Its IUPAC name is called 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-amine hydrochloride. you should keep the storage device sealing and this chemcial should be stored in a cool, dry place.

Physical properties of Cyclopenta[c]pyrrol-2(1H)-amine,hexahydro-, hydrochloride (1:1): (1)ACD/LogP: 0.14; (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): 2.22; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Flash Point: 92.9 °C; (11)Melting Point: 170-174 °C(lit.); (12)Enthalpy of Vaporization: 47.6 kJ/mol; (13)Boiling Point: 229.9 °C at 760 mmHg; (14)Vapour Pressure: 0.055 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC2CN(CC2C1)N.Cl
(2)InChI: InChI=1S/C7H14N2.ClH/c8-9-4-6-2-1-3-7(6)5-9;/h6-7H,1-5,8H2;1H
(3)InChIKey: WPYNXKFLSQEEFE-UHFFFAOYSA-N

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