4-BROMOCROTONIC ACID
4-Bromocrotonic Acid
CAS: 13991-36-1
Molecular Formula: C4H5BrO2
4-BROMOCROTONIC ACID - Names and Identifiers
| Name | 4-Bromocrotonic Acid |
| Synonyms | 4-Bromocrotonic Acid r-bromocrotonic acid 4-BroMobut-2-enoic acid (E)-4-Bromocrotonic acid (E)-4-Bromo-2-butenoic acid (2E)-4-bromobut-2-enoic acid (2E)-4-Bromo-2-butenoic acid TRANS-4-BROMO-2-BUTENOIC ACID 2-Butenoic acid, 4-bromo-, (E)- 2-Butenoic acid,4-broMo-, (2E)- |
| CAS | 13991-36-1 |
| EINECS | 210-410-3 |
| InChI | InChI=1/C4H5BrO2/c5-3-1-2-4(6)7/h1-2H,3H2,(H,6,7)/b2-1+ |
| InChIKey | DOTGZROJTAUYFQ-OWOJBTEDSA-N |
4-BROMOCROTONIC ACID - Physico-chemical Properties
| Molecular Formula | C4H5BrO2 |
| Molar Mass | 164.99 |
| Density | 1.718 |
| Melting Point | 74 °C |
| Boling Point | 288℃ |
| Flash Point | 128℃ |
| Solubility | Chloroform (Sparingly), Methanol (Slightly) |
| Vapor Presure | 0.000626mmHg at 25°C |
| Appearance | Solid |
| Color | Pale Yellow to Pale Beige |
| pKa | 4.13±0.10(Predicted) |
| Storage Condition | Inert atmosphere,2-8°C |
| Refractive Index | 1.536 |
| MDL | MFCD00082701 |
| Physical and Chemical Properties | Storage Conditions: recigerator |
4-BROMOCROTONIC ACID - Risk and Safety
| Risk Codes | 34 - Causes burns |
| Safety Description | 36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | 3261 |
| HS Code | 29161900 |
| Hazard Class | 8 |
| Packing Group | III |
4-BROMOCROTONIC ACID - Reference Information
| use | 4-bromocrotonic acid is used as a fatty acid sealant. It is used to selectively modulate the levels of long-chain acyl-CoA and carnitine in aerobic and ischemic myocardium. It is also an intermediate for the preparation of tetrahydropyridine thienopyrimidine derivatives with antiproliferative activity. |
| Application | 4-bromocrotonic acid is a pharmaceutical intermediate, which can be obtained by bromination reaction from crotonic acid. 4-Bromocrotonic acid can be used to prepare FGFR inhibitor (S,E)-5-amino -3-((3, 5-dimethoxyphenyl) ethynyl)-1-(1-(4-methoxybut-2-enoyl) pyrrolidin-3-yl)-1H-pyrazol-4-formamide. 4-bromocrotonic acid is used as an intermediate in organic synthesis and a pharmaceutical intermediate in laboratory research and development and chemical and pharmaceutical synthesis. |
| preparation | crotonic acid (10g,116.2mmol), compound NBS (N-bromosuccinimide)(23g,127.8mmol) and benzene (100ml) were added to a 250ml three-mouth flask and stirred until dispersed evenly. The temperature is raised to 84 ℃ to make the reaction reflux. In this process, the color of the reaction liquid gradually changes from yellow to orange. Quickly add azobisisobutyronitrile (0.57g,3.47mmol), after a few minutes, the solution becomes clear, the color becomes light yellow, keep the temperature unchanged and continue to stir for 2.5h,TLC monitoring until the reaction is completed. Cooling to 0 ℃, white by-products are precipitated in crystal form, filtered, toluene is washed the filter cake, the product is in the filtrate, anhydrous Na2SO4 dries the organic phase, and the filtrate is rotated to dry to obtain a crude product, column chromatography purification, petroleum ether: ethyl acetate (glacial acetic acid) = 4:1(5 ‰) elution to obtain a red solid 18.5g of 4-bromocrotonic acid, yield: 91.3%. |
Last Update：2024-04-09 02:00:06
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CAS: 13991-36-1
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Multiple SpecificationsSpot supply
Product Name: trans-4-Bromo-2-butenoic Acid Visit Supplier Webpage Request for quotationCAS: 13991-36-1
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