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molecular formula C6H13NO B083560 1-Isopropylazetidin-3-ol CAS No. 13156-06-4

1-Isopropylazetidin-3-ol

Cat. No. B083560
M. Wt: 115.17 g/mol
InChI Key: XSGMJDQRZDWEPW-UHFFFAOYSA-N
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Patent
US04018824

Procedure details

1-(isopropyl)-3-azetidinol and α-naphthol were reacted in the same manner as in Example 6 to form 1-(α-naphthoxy)-3-(iso-propylamino)-2-propanol. Then the propanol was dissolved in anhydrous ether and was converted to a hydrochloride by blowing a hydrochloric acid gas into the resulting solution. As a result 1-(α-naphthoxy)-3-(isopropylamino)-2-propanol hydrochloride melting at 162°-164° C was obtained.
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One

Identifiers

REACTION_CXSMILES
[CH:1]([N:4]1[CH2:7][CH:6]([OH:8])[CH2:5]1)([CH3:3])[CH3:2].[C:9]1([OH:19])[C:18]2[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=2)[CH:12]=[CH:11][CH:10]=1>>[C:9]1([O:19][CH2:5][CH:6]([OH:8])[CH2:7][NH:4][CH:1]([CH3:2])[CH3:3])[C:18]2[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=2)[CH:12]=[CH:11][CH:10]=1

Inputs

Step One
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C(C)(C)N1CC(C1)O
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C1(=CC=CC2=CC=CC=C12)O

Conditions

Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Outcomes

Product
Name
Type
product
Smiles
C1(=CC=CC2=CC=CC=C12)OCC(CNC(C)C)O

Source

Source
Open Reaction Database (ORD)
Description
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.
Patent
US04018824

Procedure details

1-(isopropyl)-3-azetidinol and α-naphthol were reacted in the same manner as in Example 6 to form 1-(α-naphthoxy)-3-(iso-propylamino)-2-propanol. Then the propanol was dissolved in anhydrous ether and was converted to a hydrochloride by blowing a hydrochloric acid gas into the resulting solution. As a result 1-(α-naphthoxy)-3-(isopropylamino)-2-propanol hydrochloride melting at 162°-164° C was obtained.
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One

Identifiers

REACTION_CXSMILES
[CH:1]([N:4]1[CH2:7][CH:6]([OH:8])[CH2:5]1)([CH3:3])[CH3:2].[C:9]1([OH:19])[C:18]2[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=2)[CH:12]=[CH:11][CH:10]=1>>[C:9]1([O:19][CH2:5][CH:6]([OH:8])[CH2:7][NH:4][CH:1]([CH3:2])[CH3:3])[C:18]2[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=2)[CH:12]=[CH:11][CH:10]=1

Inputs

Step One
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C(C)(C)N1CC(C1)O
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C1(=CC=CC2=CC=CC=C12)O

Conditions

Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Outcomes

Product
Name
Type
product
Smiles
C1(=CC=CC2=CC=CC=C12)OCC(CNC(C)C)O

Source

Source
Open Reaction Database (ORD)
Description
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.
Patent
US04018824

Procedure details

1-(isopropyl)-3-azetidinol and α-naphthol were reacted in the same manner as in Example 6 to form 1-(α-naphthoxy)-3-(iso-propylamino)-2-propanol. Then the propanol was dissolved in anhydrous ether and was converted to a hydrochloride by blowing a hydrochloric acid gas into the resulting solution. As a result 1-(α-naphthoxy)-3-(isopropylamino)-2-propanol hydrochloride melting at 162°-164° C was obtained.
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One

Identifiers

REACTION_CXSMILES
[CH:1]([N:4]1[CH2:7][CH:6]([OH:8])[CH2:5]1)([CH3:3])[CH3:2].[C:9]1([OH:19])[C:18]2[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=2)[CH:12]=[CH:11][CH:10]=1>>[C:9]1([O:19][CH2:5][CH:6]([OH:8])[CH2:7][NH:4][CH:1]([CH3:2])[CH3:3])[C:18]2[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=2)[CH:12]=[CH:11][CH:10]=1

Inputs

Step One
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C(C)(C)N1CC(C1)O
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C1(=CC=CC2=CC=CC=C12)O

Conditions

Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Outcomes

Product
Name
Type
product
Smiles
C1(=CC=CC2=CC=CC=C12)OCC(CNC(C)C)O

Source

Source
Open Reaction Database (ORD)
Description
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.
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