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| Methyl 4-bromobenzoate Basic information |
| Methyl 4-bromobenzoate Chemical Properties |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-24/25 | | WGK Germany | 3 | | TSCA | Yes | | HS Code | 29163990 |
| Methyl 4-bromobenzoate Usage And Synthesis |
| Chemical Properties | WHITE CRYSTALS OR CRYSTALLINE POWDER | | Uses | Methyl 4-bromobenzoate is halogenated benzoate used as a reagent in organic synthesis. Methyl 4-bromobenzoate can be used to stimulate microbial dechlorination of PCBs. It is also used in the preparation of stable radioiodinating reagent to label monoclonal antibodies for radiotherapy of cancer.
| | Uses | Methyl 4-bromobenzoate is used as a starting material in the synthesis of three-carbon-bridged 5-substituted furo[2,3-d]pyrimidine and 6-substituted pyrrolo[2,3-d]pyrimidine and methyl 4-tri-n-butylstannylbenzoate. It is also used to stimulate microbial dechlorination of polychlorinated biphenyls. Further, it is used in the preparation of stable radioiodinating reagent to label monoclonal antibodies for radiotherapy of cancer. | | Uses | Methyl 4-bromobenzoate may be used in the following syntheses:- Three-carbon-bridged 5-substituted furo[2,3-d]pyrimidine and 6-substituted pyrrolo[2,3-d]pyrimidine analogs, employed as antifolates.
- Methyl 4-tri-n-butylstannylbenzoate.
- Methyl 4-(2-pyridyl)benzoate by cross coupling reaction with lithium 2-pyridyltriolborate.
- Methyl 4-imidazo[1,2-a]pyridin-3-ylbenzoate by ligand-free Pd(OAc)2 catalyzed reaction with Imidazo[1,2-a]pyridine.
- Methyl (E)-4-[3-(2-methoxycarbonylvinyl)-thiophen-2-yl]acrylate by reacting with methyl (E)-3-(thiophen-3-y)lacrylate.
| | General Description | Methyl 4-bromobenzoate is a para-substituted aryl bromide. Mol-ecules of methyl 4-bromobenzoate are almost planar. The compound is isostructural with methyl 4-iodo-benzoate. The Zeeman effect on the N.Q.R. (nuclear quadrupole resonance) of methyl 4-bromobenzoate on single crystals, has been investigated by the ′geometric method′. | | Purification Methods | Crystallise the ester from MeOH. EtOH (m 81o, also 80.5o, 79.5o) or *C6H6/pet ether (m 78-79o). [Beilstein 9 H 352, 9 III 1405, 9 IV 1017.] |
| Methyl 4-bromobenzoate Preparation Products And Raw materials |
| Raw materials | Benzenecarbothioic acid, 4-bromo-, O-methyl ester-->4-BROMOBENZALDEHYDE DIMETHYL ACETAL | | Preparation Products | 2,3,5,6-Tetrafluoropyridine-->4-ETHYNYL-BENZOIC ACID-->2-(4-bromophenyl)-1,3,4-oxadiazole-->METHYL 4'-BROMO[1,1'-BIPHENYL]-4-CARBOXYLATE-->4-(TRIMETHYLSILYLETHYNYL)BENZYL ALCOHOL-->4-ETHYNYLBENZYL ALCOHOL 97-->3-ETHYNYL-BENZOIC ACID METHYL ESTER-->METHYL 4'-HYDROXY[1,1'-BIPHENYL]-4-CARBOXYLATE-->1-(4-bromophenyl)-2-chloroethan-1-one-->METHYL 4-VINYLBENZOATE-->4'-Isopropylacetophenone-->Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate-->Methyl benzoate |
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