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| | Methyl 4-bromobutyrate Basic information |
| Product Name: | Methyl 4-bromobutyrate | | Synonyms: | Methyl 4-bromobutyrate, 98+%;4-Bromobutanoic acid methyl ester;4-broMo butyrate;METHYL 4-BROMO-N-BUTYRATE;METHYL 4-BROMOBUTYRATE;4-BROMOBUTYRIC ACID METHYL ESTER;4-BROMO-N-BUTYRIC ACID METHYL ESTER;Br(CH2)3C(O)OCH3 | | CAS: | 4897-84-1 | | MF: | C5H9BrO2 | | MW: | 181.03 | | EINECS: | 225-523-3 | | Product Categories: | Miscellaneous;bc0001 | | Mol File: | 4897-84-1.mol |  |
| | Methyl 4-bromobutyrate Chemical Properties |
| Melting point | 175-190 °C | | Boiling point | 186-187 °C | | density | 1.434 | | refractive index | 1.4620 | | Fp | 186-187°C | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | Liquid | | Specific Gravity | 1.434 | | color | Clear colorless to pale yellow | | Water Solubility | insoluble | | BRN | 1745618 | | InChI | InChI=1S/C5H9BrO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3 | | InChIKey | QAWFLJGZSZIZHO-UHFFFAOYSA-N | | SMILES | C(OC)(=O)CCCBr | | CAS DataBase Reference | 4897-84-1(CAS DataBase Reference) | | NIST Chemistry Reference | Methyl 4-bromobutyrate(4897-84-1) |
| | Methyl 4-bromobutyrate Usage And Synthesis |
| Chemical Properties | Clear colorless to pale yellow liquid | | Uses | Br-C3-methyl ester is a Alkyl/ether-based PROTAC linker that can be used in the synthesis of PROTAC PD-1/PD-L1 degrader-1 (HY-131183)[1]. | | Synthesis | Dissolve 5g of 4-bromobutyric acid in 100 mL of methanol, add 3.3 mL of sulfoxide chloride dropwise at room temperature, continue the reaction for 1 hour after the drop, remove the solvent and excess sulfoxide chloride under reduced pressure to obtain a colorless liquid of 5.4 g. Yield of 99.6%. | | IC 50 | Alkyl/ether | | References | [1] Binbin Cheng, et al. Discovery of novel resorcinol diphenyl ether-based PROTAC-like molecules as dual inhibitors and degraders of PD-L1. Eur J Med Chem. 2020;199:112377. DOI:10.1016/j.ejmech.2020.112377 |
| | Methyl 4-bromobutyrate Preparation Products And Raw materials |
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