Mono-Methyl hydrogen succinate
CAS NO. 1070-62-8
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To begin with, let us tell you what is the basic information of Mono-Methyl hydrogen succinate CAS NO. 3878-55-5?
|
Flash Point |
104.5±16.1 °C |
Molecular Weight |
132.115 |
|
Density |
1.2±0.1 g/cm3 |
Boiling Point |
259.2±0.0 °C at 760 mmHg |
|
Molecular Formula |
C5H8O4 |
Melting Point |
54-57 °C(lit.) |
Like many stuff, it has many synonyms as follows
|
MFCD00002788 |
|
EINECS 223-408-2 |
|
mono-Methyl hydrogen succinate |
| mono-Methyl succinate |
|
4-Methoxy-4-oxobutanoic acid |
The chemical is very special
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Ecological data
It is usually not harmful to water, and materials should not be discharged into the surrounding environment without government permission
Molecular structure data
Currently unavailable
Computational Chemistry Data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond receptors: 4
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: None
6. Topological molecule polarity surface area 63.6
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 118
10. Isotope atomic number: 0
11. Determine the number of atomic structure centers: 0
12. Number of uncertain atomic structure centers: 0
13. Determine the number of chemical bond stereocenters: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and Stability
1. Stable at room temperature and pressure, white crystals. Stable in the air. Melting point: 162-164 ℃ (157-160 ℃). It is stimulating.
2. Exists in smoke.
Storage method
Keep away from light, in a well ventilated and dry place, and seal for storage
Second, the Synthetic Route we will recommend is the most important for your reference?
First, synthesis line of Mono-Methyl hydrogen succinate CAS NO. 3878-55-5 as follows
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1. Heat and reflux 400g of succinic anhydride and 194ml of methanol for 1 hour, evaporate excess methanol under reduced pressure, cool and crystallize the residue, and vacuum dry to obtain 502-507g of monomethyl succinate with a yield of 95-96%.
2. Preparation method:
Add 400g (4.0mol) of succinic anhydride (2) and 200mL of anhydrous methanol to a reaction bottle equipped with a stirrer and reflux condenser. Heat and reflux under stirring for about 35 minutes to form a homogeneous reaction system, and then reflux for another 30 minutes. Steam out methanol under reduced pressure, pour the reactants into a large culture dish while hot, cool and solidify into a solid. Vacuum drying to constant weight resulted in compound (1) 502-507g, with a yield of 95%, at a temperature of 57-58 ℃. [1]
Third, what is the usage of Mono-Methyl hydrogen succinate CAS NO. 3878-55-5 ? pleas see below
Main Usage:
Used for the intermediates of pharmaceuticals and as an intermediate in organic synthesis
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Other usages as below
Can be used for the synthsis of the chemical methyl 4-methylhexanoate ,Cas No.:. 2177-82-4
Can be used for the synthsis of the chemical, octane-4,4,5,5-d4, Cas No.: 50674-05-0
Can be used for the synthsis of the chemical, methyl heptanoate-4,4-d2 Cas No.:. 344295-00-7
Besides Safety Information of Mono-Methyl hydrogen succinate CAS NO. 3878-55-5 is also important when handling it
|
Hazard Codes |
Xi |
|
HS Code |
2917190090 |
What is the appearance of Mono-Methyl hydrogen succinate CAS NO. 3878-55-5 ? Please see the picture of Mono-Methyl hydrogen succinate CAS NO. 3878-55-5, below
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Specification of Mono-Methyl hydrogen succinate CAS NO. 3878-55-5, is below
Apperance: white powder to white crystal
Assay: 99 % min by GC
Assat:98% min by Neutralization titration
IR identity: conform
Water by KF:0.5% max.
HNMR picture of Mono-Methyl hydrogen succinate CAS NO. 3878-55-5 is as follows,
IR picture of Mono-Methyl hydrogen succinate CAS NO. 3878-55-5 is as follows,
Roman specturm picture of Mono-Methyl hydrogen succinate CAS NO. 3878-55-5 is as follows,
Reference of Article cited for your reference below,
（1）
3-mercaptopyruvic acid; 2-oxo-3-sulfanylpropanoic acid; 2464-23-5; 3-mercaptopyruvate; mercaptopyruvate; ...
Compound CID: 98
Neighbor Type: 2D+3D
Annotation Types Count: 11
（2）
Publication Name: Antonie van Leeuwenhoek
Publication Date: 2023
DOI: 10.1007/s10482-023-01891-4
（3）
Mitochondrial regulation of insulin production in rat pancreatic islets
PMID: 15986240
Publication Date: 2005
Publication Name: Diabetologia
