4,6-Dichloro-5-pyrimidinecarbaldehyde
- Product Name
- 4,6-Dichloro-5-pyrimidinecarbaldehyde
- CAS No.
- 5305-40-8
- Chemical Name
- 4,6-Dichloro-5-pyrimidinecarbaldehyde
- Synonyms
- ASISCHEM C51985;TIMTEC-BB SBB005606;4,6-Dichloro-5-formylpyrimidine;6-DichloropyriMidine-5-carboxaldehyde;4,6-DICHLORO-5-PYRIMIDINECARBALDEHYDE;4,6-DICHLORO-PYRIMIDINE-5-CARBALDEHYDE;4,6-Dichloro-5-pyrimidine formaldehyde;5-PyriMidinecarbaldehyde, 4,6-dichloro-;4,6-Dichloropyrimidine-5-carboxaldehyde;4,6-DICHLORO-5-PYRIMIDINE CARBOXALDEHYDE
- CBNumber
- CB9784321
- Molecular Formula
- C5H2Cl2N2O
- Formula Weight
- 176.99
- MOL File
- 5305-40-8.mol
4,6-Dichloro-5-pyrimidinecarbaldehyde Property
- Melting point:
- 66-71 °C
- Boiling point:
- 92-93 °C(Press: 0.05 Torr)
- Density
- 1.588±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C
- pka
- -5.90±0.26(Predicted)
- form
- solid
- color
- Yellow
- InChI
- InChI=1S/C5H2Cl2N2O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H
- InChIKey
- XQSJHQXYQAUDFC-UHFFFAOYSA-N
- SMILES
- C1=NC(Cl)=C(C=O)C(Cl)=N1
- CAS DataBase Reference
- 5305-40-8(CAS DataBase Reference)
Safety
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36/37/38-43-36/38-22
- Safety Statements
- 26-36-36/37
- WGK Germany
- 3
- HazardClass
- IRRITANT
- HS Code
- 29335990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H317May cause an allergic skin reaction
H319Causes serious eye irritation
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 638145
- Product name
- 4,6-Dichloropyrimidine-5-carboxaldehyde
- Purity
- 97%
- Packaging
- 1g
- Price
- $32.7
- Updated
- 2023/06/20
- Product number
- D438353
- Product name
- 4,6-Dichloropyrimidine-5-carbaldehyde
- Packaging
- 500mg
- Price
- $75
- Updated
- 2021/12/16
- Product number
- 043714
- Product name
- 4,6-Dichloro-5-pyrimidinecarbaldehyde
- Purity
- >95%
- Packaging
- 1g
- Price
- $10
- Updated
- 2021/12/16
- Product number
- 043714
- Product name
- 4,6-Dichloro-5-pyrimidinecarbaldehyde
- Purity
- >95%
- Packaging
- 5g
- Price
- $29
- Updated
- 2021/12/16
- Product number
- FD12127
- Product name
- 4,6-Dichloro-5-pyrimidinecarbaldehyde
- Packaging
- 1g
- Price
- $63
- Updated
- 2021/12/16
4,6-Dichloro-5-pyrimidinecarbaldehyde Chemical Properties,Usage,Production
Chemical Properties
White to off-white solid
Uses
4,6-Dichloropyrimidine-5-carboxaldehyde is used as a substrate in the synthesis of N-terminal surrogate in amino acid and peptide analogues.
Synthesis
68-12-2
1193-24-4
5305-40-8
General procedure for the synthesis of 4,6-dichloro-5-pyrimidinecarboxaldehyde from N,N-dimethylformamide (DMF) and 4,6-dihydroxypyrimidine: First, DMF (64 mL) was mixed with phosphorus oxychloride (POCl3) (200 mL) and stirred for 1 hr at 0 °C. Subsequently, 4,6-dihydroxypyrimidine (50.0 g, 446 mmol) was added to the mixture and stirring was continued for 0.5 h at room temperature. Next, the resulting non-homogeneous mixture was heated to reflux for 3 hours. After completion of the reaction, the volatiles were removed by distillation under reduced pressure and the residue was carefully poured into ice water. The aqueous phase was extracted six times with ether and the organic phases were combined. The organic phase was washed sequentially with aqueous sodium bicarbonate (NaHCO3) and pure water and dried over anhydrous sodium sulfate (Na2SO4). The dried organic phase was concentrated under reduced pressure and finally crystallized by ethyl acetate (EtOAc)-petroleum ether mixed solvent to afford the target product 4,6-dichloro-5-pyrimidinecarboxaldehyde (43.5 g, 55% yield). The product was analyzed by LC-MS (ESI), m/z 177 [M+H]+.
References
[1] Patent: US2006/281700, 2006, A1. Location in patent: Page/Page column 34
[2] Patent: US2006/281755, 2006, A1. Location in patent: Page/Page column 40
[3] Patent: US2006/281764, 2006, A1. Location in patent: Page/Page column 25
[4] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 16, p. 3353 - 3358
[5] Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 12, p. 2936 - 2941
4,6-Dichloro-5-pyrimidinecarbaldehyde Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4,6-Dichloro-5-pyrimidinecarbaldehyde manufacturers
- Product
- 4,6-Dichloro-5-pyrimidinecarbaldehyde 5305-40-8
- Price
- US $60.00-600.00/kg
- Min. Order
- 10kg
- Purity
- 0.99
- Supply Ability
- 20tons
- Release date
- 2023-11-13
- Product
- 4,6-Dichloro-5-pyrimidinecarbaldehyde 5305-40-8
- Price
- US $200.00-1.00/KG
- Min. Order
- 1KG
- Purity
- 99%, 99.5% Sublimated
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2023-12-30
- Product
- 4,6-Dichloro-5-pyrimidinecarbaldehyde 5305-40-8
- Price
- US $18.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 100KG
- Release date
- 2021-09-24