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molecular formula C6H8O6 B605621 l-ascorbic acid CAS No. 50-81-7

l-ascorbic acid

Cat. No. B605621
M. Wt: 176.12 g/mol
InChI Key: CIWBSHSKHKDKBQ-JLAZNSOCSA-N
Attention: For research use only. Not for human or veterinary use.
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Patent
US06355847B1

Procedure details

The relationship between the amount of ascorbic acid and the phenol yield was examined. Specifically, the pressure of the oxygen atmosphere was set at 4 atm (about 0.4 MPa), and the amount of ascorbic acid was changed within a range of 0 to 3 mmol. FIG. 1 shows the results. As apparent from FIG. 1, phenol was obtained at a high yield of 8% or more where the amount of ascorbic acid was at least 1 mmol.
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two

Identifiers

REACTION_CXSMILES
O=O.[O:3]=[C:4]1[O:10][C@H:9]([C@H:11]([CH2:13][OH:14])[OH:12])[C:7]([OH:8])=[C:5]1[OH:6]>>[C:5]1([OH:6])[CH:4]=[CH:13][CH:11]=[CH:9][CH:7]=1.[O:3]=[C:4]1[O:10][C@H:9]([C@H:11]([CH2:13][OH:14])[OH:12])[C:7]([OH:8])=[C:5]1[OH:6]

Inputs

Step One
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
O=O
Step Two
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
O=C1C(O)=C(O)[C@H](O1)[C@@H](O)CO

Conditions

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

Outcomes

Product
Name
Type
product
Smiles
C1(=CC=CC=C1)O
Name
Type
product
Smiles
O=C1C(O)=C(O)[C@H](O1)[C@@H](O)CO

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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