Hafnium tetrachloride
Número de catálogo B085390
Peso molecular: 320.3 g/mol
Clave InChI: PDPJQWYGJJBYLF-UHFFFAOYSA-J
Atención: Solo para uso de investigación. No para uso humano o veterinario.
Patent
US04176173
Procedure details
Hydrated hafnium-ammonium-ascorbate was prepared as follows: 1.6 grams of hafnium-tetrachloride and 1.86 grams of crystalline ascorbic acid were dissolved in 5 ml of water, and the pH was adjusted to 6.5 with ammonium hydroxide. Two ml portions of the resulting solution were administered orally to rats and radiographs were obtained comparable to those seen with preparations described in the previous examples. Soluble complexes of ascorbic acid and hafnium possessing similar properties were obtained using molar ratios of ascorbic acid to hafnium of from 1:1 to 4:1.
Name
Name
Identifiers
|
REACTION_CXSMILES
|
[Cl-].[Cl-].[Cl-].[Cl-].[Hf+4:5].[O:6]=[C:7]1[O:13][C@H:12]([C@H:14]([CH2:16][OH:17])[OH:15])[C:10]([OH:11])=[C:8]1[OH:9].[OH-].[NH4+]>O>[O:6]=[C:7]1[O:13][C@H:12]([C@H:14]([CH2:16][OH:17])[OH:15])[C:10]([OH:11])=[C:8]1[OH:9].[Hf:5] |f:0.1.2.3.4,6.7|
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
1.6 g
|
|
Type
|
reactant
|
|
Smiles
|
[Cl-].[Cl-].[Cl-].[Cl-].[Hf+4]
|
|
Name
|
|
|
Quantity
|
1.86 g
|
|
Type
|
reactant
|
|
Smiles
|
O=C1C(O)=C(O)[C@H](O1)[C@@H](O)CO
|
|
Name
|
|
|
Quantity
|
5 mL
|
|
Type
|
solvent
|
|
Smiles
|
O
|
Step Two
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
[OH-].[NH4+]
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Workups
CUSTOM
|
Type
|
CUSTOM
|
|
Details
|
radiographs were obtained comparable to
|
Outcomes
Product
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
O=C1C(O)=C(O)[C@H](O1)[C@@H](O)CO
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
[Hf]
|
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
US04176173
Procedure details
Hydrated hafnium-ammonium-ascorbate was prepared as follows: 1.6 grams of hafnium-tetrachloride and 1.86 grams of crystalline ascorbic acid were dissolved in 5 ml of water, and the pH was adjusted to 6.5 with ammonium hydroxide. Two ml portions of the resulting solution were administered orally to rats and radiographs were obtained comparable to those seen with preparations described in the previous examples. Soluble complexes of ascorbic acid and hafnium possessing similar properties were obtained using molar ratios of ascorbic acid to hafnium of from 1:1 to 4:1.
Name
Name
Identifiers
|
REACTION_CXSMILES
|
[Cl-].[Cl-].[Cl-].[Cl-].[Hf+4:5].[O:6]=[C:7]1[O:13][C@H:12]([C@H:14]([CH2:16][OH:17])[OH:15])[C:10]([OH:11])=[C:8]1[OH:9].[OH-].[NH4+]>O>[O:6]=[C:7]1[O:13][C@H:12]([C@H:14]([CH2:16][OH:17])[OH:15])[C:10]([OH:11])=[C:8]1[OH:9].[Hf:5] |f:0.1.2.3.4,6.7|
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
1.6 g
|
|
Type
|
reactant
|
|
Smiles
|
[Cl-].[Cl-].[Cl-].[Cl-].[Hf+4]
|
|
Name
|
|
|
Quantity
|
1.86 g
|
|
Type
|
reactant
|
|
Smiles
|
O=C1C(O)=C(O)[C@H](O1)[C@@H](O)CO
|
|
Name
|
|
|
Quantity
|
5 mL
|
|
Type
|
solvent
|
|
Smiles
|
O
|
Step Two
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
[OH-].[NH4+]
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Workups
CUSTOM
|
Type
|
CUSTOM
|
|
Details
|
radiographs were obtained comparable to
|
Outcomes
Product
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
O=C1C(O)=C(O)[C@H](O1)[C@@H](O)CO
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
[Hf]
|
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. |
