| Identification | More | [Name]
2-Bromomalonaldehyde | [CAS]
2065-75-0 | [Synonyms]
2-BROMOMALONALDEHYDE
BROMOMALONALDEHYDE | [Molecular Formula]
C3H3BrO2 | [MDL Number]
MFCD00459999 | [Molecular Weight]
150.96 | [MOL File]
2065-75-0.mol |
| Chemical Properties | Back Directory | [Appearance]
Light Yellow Solid | [Melting point ]
132-136 °C(lit.)
| [Boiling point ]
134.8±25.0 °C(Predicted) | [density ]
1.750±0.06 g/cm3(Predicted) | [storage temp. ]
Keep Cold | [solubility ]
Acetonitrile (Slightly), DMSO (Slightly) | [form ]
Solid | [pka]
1.70±0.10(Predicted) | [color ]
Pale Beige to Pale Yellow | [Sensitive ]
Air Sensitive | [Detection Methods]
HPLC | [InChI]
InChI=1S/C3H3BrO2/c4-3(1-5)2-6/h1-3H | [InChIKey]
SURMYNZXHKLDFO-UHFFFAOYSA-N | [SMILES]
C(=O)C(Br)C=O | [CAS DataBase Reference]
2065-75-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS05,GHS07 | [Signal word ]
Danger | [Hazard statements ]
H302-H318 | [Precautionary statements ]
P264-P270-P280-P301+P312-P305+P351+P338-P501 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant/Keep Cold | [REACH Registrations]
Inactive | [HS Code ]
29130000 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Dam. 1 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Hydrochloric acid-->Chloroform-->Bromine-->Activated carbon-->1,1,3,3-Tetramethoxypropane | [Preparation Products]
2-(Trifluoromethyl)thiazole-5-carbaldehyde-->2-Bromo-5-fomylthiazole-->tert-Butyl 5-formylthiazol-2-ylcarbamate-->5-Bromo-1H-pyrazo[3,4-b]pyridine-->5-bromothieno[2,3-b]pyridine-->2-Amino-5-formylthiazole-->6-Bromo-pyrazolo[1,5-a]pyrimidine-->6-Bromo[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid-->N-(5-ForMylthiazol-2-yl)acetaMide-->6-Chloroimidazo[1,2-a]pyridine-3-carbaldehyde-->1-benzyl-2-methyl-1H-imidazole-carbaldehyde |
| Hazard Information | Back Directory | [Chemical Properties]
Light Yellow Solid | [Uses]
Used in the formation of glyoxal-derived adducts from substituted guanines | [Synthesis]
1,1,3,3-tetramethoxypropane (23) (10 g) was used as a raw material, and a solution of water (H2O, 11 mL) with concentrated HCl (0.43 mL) was stirred at room temperature for 10 minutes. Subsequently, Br2 (3.1 mL) was slowly added dropwise to the above solution at room temperature for a controlled time of 50 minutes or more. After the dropwise addition was completed, the reaction mixture was continued to be stirred at room temperature for 20 minutes. After completion of the reaction, the mixture was concentrated under vacuum. The resulting residual solid was washed with water (H2O) to give the final target product 2-bromomalonaldehyde (24) (3.6 g, 39%) as a yellow solid. The melting point of the product was 147-148 °C; 1H NMR (CDCl3) δ 4.73-4.80 (1H,m),8.47 (2H,br s); FAB MS m/e (M-H)-149. | [References]
[1] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 1, p. 235 - 238
[2] Patent: US2005/85492, 2005, A1. Location in patent: Page/Page column 25
[3] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 5, p. 1219 - 1233
[4] Organic and Biomolecular Chemistry, 2005, vol. 3, # 18, p. 3388 - 3398
[5] Patent: WO2004/67521, 2004, A1. Location in patent: Page 68 |
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