- 4-BROMOCROTONIC ACID
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- $50.00 / 1kg
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2023-08-04
- CAS:13991-36-1
- Min. Order: 1kg
- Purity: 99%
- Supply Ability: 1000tons
- 4-bromocrotonic acid
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- $200.00 / 10g
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2022-11-11
- CAS:13991-36-1
- Min. Order: 10g
- Purity: 99%
- Supply Ability: 1000t/month
- 4-BROMOCROTONIC ACID
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- $15.00 / 1KG
-
2021-07-02
- CAS:13991-36-1
- Min. Order: 1KG
- Purity: 99%+ HPLC
- Supply Ability: Monthly supply of 1 ton
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| | 4-BROMOCROTONIC ACID Basic information |
| Product Name: | 4-BROMOCROTONIC ACID | | Synonyms: | TRANS-4-BROMO-2-BUTENOIC ACID;2-Butenoic acid, 4-bromo-, (E)-;4-BroMobut-2-enoic acid;(2E)-4-Bromo-2-butenoic acid;2-Butenoic acid,4-broMo-, (2E)-;(E)-4-Bromo-2-butenoic acid;(E)-4-Bromocrotonic acid;r-bromocrotonic acid | | CAS: | 13991-36-1 | | MF: | C4H5BrO2 | | MW: | 164.99 | | EINECS: | 210-410-3 | | Product Categories: | 13991-36-1 | | Mol File: | 13991-36-1.mol |  |
| | 4-BROMOCROTONIC ACID Chemical Properties |
| Melting point | 74 °C | | Boiling point | 288℃ | | density | 1.718 | | Fp | 128℃ | | storage temp. | Inert atmosphere,2-8°C | | solubility | Chloroform (Sparingly), Methanol (Slightly) | | pka | 4.13±0.10(Predicted) | | form | Solid | | color | Pale Yellow to Pale Beige | | InChI | InChI=1S/C4H5BrO2/c5-3-1-2-4(6)7/h1-2H,3H2,(H,6,7)/b2-1+ | | InChIKey | DOTGZROJTAUYFQ-OWOJBTEDSA-N | | SMILES | C(O)(=O)/C=C/CBr | | CAS DataBase Reference | 13991-36-1 |
| Risk Statements | 34 | | Safety Statements | 36/37/39 | | RIDADR | 3261 | | HazardClass | 8 | | PackingGroup | III | | HS Code | 29161900 |
| | 4-BROMOCROTONIC ACID Usage And Synthesis |
| Chemical Properties | White solid | | Uses | (E)-4-Bromocrotonic Acid acts as a fatty acid blocking agent. It is used to selectively adjust levels of long-chain acyl CoA and carnitine in aerobic and ischemic myocardium. It is also an intermediate used to prepare tetrahydropyridothienopyrimidine derivatve with antiproliferative activities. | | Synthesis | General procedure for the synthesis of (E)-4-bromobut-2-enoic acid from crotonic acid: a mixture of (E)-but-2-enoic acid (10.00 g, 116.16 mmol), N-bromosuccinimide (NBS, 1.02 g, 118.48 mmol), and 2,2'-azobis(2-methylpropionitrile) (AIBN, 381.49 mg, 2.32 mmol ) were dissolved in carbon tetrachloride (CCl4, 120 mL) and the reaction was stirred at 90 °C for 4 hours. After completion of the reaction, the mixture was filtered and the filtrate was concentrated. The residue was recrystallized with hexane to afford the target product (E)-4-bromobut-2-enoic acid (19.17 g, 42.2% yield). | | References | [1] Archiv der Pharmazie, 2014, vol. 347, # 8, p. 552 - 558
[2] Bioorganic and Medicinal Chemistry, 2014, vol. 22, # 7, p. 2366 - 2378
[3] Patent: CN107556289, 2018, A. Location in patent: Paragraph 0112; 0114; 0115; 0116
[4] Journal of Organic Chemistry, 2011, vol. 76, # 11, p. 4467 - 4481
[5] Tetrahedron Letters, 2018, vol. 59, # 18, p. 1776 - 1778 |
| | 4-BROMOCROTONIC ACID Preparation Products And Raw materials |
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