2-Amino-3,5-dibromobenzoic acid methyl ester
Structural formula
| Business number | 068Y |
|---|---|
| Molecular formula | C8H7Br2NO2 |
| Molecular weight | 308.95 |
| label |
3,5-Dibromo-2-aminobenzoic acid methyl ester, 3,5-Dibromoanthranilic acid methyl ester, Methyl 3,5-dibromoanthranilate, Br2C6H2-2-(NH2)CO2CH3 |
Numbering system
CAS number:606-00-8
MDL number:MFCD00010873
EINECS number:None
RTECS number:None
BRN number:None
PubChem number:24857930
Physical property data
Physical property data:
1. Character:Solid crystal
2. Melting point (℃): 89~91
Toxicological data
None
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.
Molecular structure data
5. Molecular property data: 1, Molar refractive index:57.64 2, Molar volume (m3/mol):161.9 3, Isotonic specific volume (90.2K )：438.9 4, Surface tension (dyne/ cm):53.9 5、 Polarizability (10-24cm3): 22.85
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 3
6. Topological molecule polar surface area 52.3
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 201
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Basic properties
This product is a solid crystal. 98%The melting point of industrial products is89-91℃.Storage method
Storage:
Seal the secret container and store it in a sealed main container in a cool place Dry position.
Synthesis method
2. Brief description of production method
Obtained from the bromination of methyl anthranilate. Combine methyl anthranilate with15%‘s hydrochloric acid stirring Mix and cool until5-15℃, add bromine dropwise –Hydrochloric acid mixture. Gabby, in15℃The following reaction1h, adjust with sodium hydroxide solutionpHThe value is2. Filter, wash with water until neutral, and dry at low temperature to obtain the finished product. The yield is90%Above.Purpose
3. Purpose
For the synthesis of the drug bromide.