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| | Isobutyl 3,5-diamino-4-chloro benzoate Basic information |
| Product Name: | Isobutyl 3,5-diamino-4-chloro benzoate | | Synonyms: | TIMTEC-BB SBB003200;3,5-diamino-4-chloro-benzoicaci2-methylpropylester;3,5-Diamino-4-Chioro Benzoic Acid -2-Methylpropyl Ester;(4-chlorophenyl)-(3,4-dimethylphenyl)methanone;Addolink 1604;Baytec XL 1604;(2-(4-aMinophenyl)-2-Methylpropyl)carbaMate;3,5-DIAMINO-4-CHLORO-BENZOIC ACID ISOBUTYL ESTER | | CAS: | 32961-44-7 | | MF: | C11H15ClN2O2 | | MW: | 242.7 | | EINECS: | 251-311-5 | | Product Categories: | C10 to C11;Carbonyl Compounds;Esters | | Mol File: | 32961-44-7.mol |  |
| | Isobutyl 3,5-diamino-4-chloro benzoate Chemical Properties |
| Melting point | 86-90 °C(lit.) | | Boiling point | 390.1±37.0 °C(Predicted) | | density | 1.252±0.06 g/cm3(Predicted) | | vapor pressure | 0-3Pa at 25-110℃ | | storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C | | form | Solid:particulate/powder | | pka | 1.75±0.10(Predicted) | | Appearance | Gray to dark gray Solid | | InChI | InChI=1S/C11H15ClN2O2/c1-6(2)5-16-11(15)7-3-8(13)10(12)9(14)4-7/h3-4,6H,5,13-14H2,1-2H3 | | InChIKey | KHUIRIRTZCOEMK-UHFFFAOYSA-N | | SMILES | C(OCC(C)C)(=O)C1=CC(N)=C(Cl)C(N)=C1 | | LogP | -0.97 | | CAS DataBase Reference | 32961-44-7(CAS DataBase Reference) | | EPA Substance Registry System | Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester (32961-44-7) |
| Hazard Codes | Xn | | Risk Statements | 22-36/37/38 | | Safety Statements | 26 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | IRRITANT |
| | Isobutyl 3,5-diamino-4-chloro benzoate Usage And Synthesis |
| Uses | Isobutyl 3,5-diamino-4-chloro benzoate | | Synthesis | 1. Preparation of raw materials: weigh 20 g of isobutyl 3,5-dinitro-4-chlorobenzoate, 100 ml of ethanol, 4 g of nickel ruanne and 1 g of morpholine.
2. Procedure:
1) Add the weighed isobutyl 3,5-dinitro-4-chlorobenzoate, nickel ruanne, ethanol and morpholine into the autoclave, seal it, and then replace the gas in the autoclave with nitrogen and hydrogen at 0.2-0.3 MPa, respectively, and repeat the process 3 times each;
2) pass hydrogen into the autoclave until the pressure reaches 3.0 MPa, heat to 90-100°C and maintain this temperature until the pressure in the kettle drops to 2.0 MPa, and then replenish hydrogen to 3.0 MPa;
3) Maintaining the pressure in the reactor between 2.0-3.0 MPa and continuing the reaction for 1.5 hours until the system no longer absorbs hydrogen and the reaction is complete, stopping heating and cooling;
4) After the completion of the reaction, carry out filtration to recover the solid Nguyenne nickel;
5) Concentrate the filtrate under reduced pressure to a viscous state, and then place it in a refrigerator for freeze crystallization.
3. Experimental results: The reaction was successfully completed with 92% yield of isobutyl 4-chloro-3,5-diaminobenzoate. | | References | [1] Patent: CN106478436, 2017, A. Location in patent: Paragraph 0005; 0006-0022 |
| | Isobutyl 3,5-diamino-4-chloro benzoate Preparation Products And Raw materials |
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