| Identification | More | [Name]
Methyl 4-bromobutyrate | [CAS]
4897-84-1 | [Synonyms]
4-BROMOBUTYRIC ACID METHYL ESTER
4-BROMO-N-BUTYRIC ACID METHYL ESTER
METHYL 4-BROMOBUTANOATE
METHYL 4-BROMOBUTYRATE
METHYL 4-BROMO-N-BUTYRATE
Br(CH2)3C(O)OCH3
Butanoic acid, 4-bromo-, methyl ester
Butyric acid, 4-bromo-, methyl ester
Methyl gamma-bromobutyrate
Methyl 4-bromobutyrate, 98+%
4-Bromobutanoic acid methyl ester | [EINECS(EC#)]
225-523-3 | [Molecular Formula]
C5H9BrO2 | [MDL Number]
MFCD00041482 | [Molecular Weight]
181.03 | [MOL File]
4897-84-1.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear colorless to pale yellow liquid | [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 | [color ]
Clear colorless to pale yellow | [Specific Gravity]
1.434 | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [HS Code ]
29156000 |
| Hazard Information | Back Directory | [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 | [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 |
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