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CAS No.: | 6840-45-5 |
---|---|
Name: | 3-Bromoimidazo[1,2-a]pyrimidine |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H4BrN3 |
Molecular Weight: | 198.022 |
Synonyms: | 3-Bromoimidazo[1,2-a]pyrimidine; |
Density: | 1.89 g/cm3 |
Melting Point: | 158-160 °C |
Appearance: | yellowish crystal |
Hazard Symbols: | Xi |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 30.19000 |
LogP: | 1.49180 |
Conditions | Yield |
---|---|
With N-Bromosuccinimide In chloroform for 12h; Heating; | |
With bromine; sodium acetate In methanol at -10℃; | 3.2 g |
N-(2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)-4-fluorobenzenesulfonamide
3-bromoimidazo[1,2-a]pyrimidine
N-(2-chloro-5-(imidazo[1,2-a]pyrimidin-3-yl)pyridin-3-yl)-4-fluorobenzenesulfonamide
Conditions | Yield |
---|---|
With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane; water at 100℃; for 5h; | 58% |
3-bromoimidazo[1,2-a]pyrimidine
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In water; acetonitrile at 80℃; for 16h; Inert atmosphere; | 51.2% |
3-bromoimidazo[1,2-a]pyrimidine
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In water; N,N-dimethyl-formamide at 90℃; for 16h; Inert atmosphere; Sealed tube; | 51% |
3-bromoimidazo[1,2-a]pyrimidine
Conditions | Yield |
---|---|
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; triphenylphosphine In N,N-dimethyl-formamide at 50℃; for 15h; Inert atmosphere; | 29.3% |
3-bromoimidazo[1,2-a]pyrimidine
N-[6-(imidazo[1,2-a]pyrimidin-3-ylsulphonyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: potassium carbonate / water; dimethyl sulfoxide / 0.2 h / 190 °C / sealed tube; Microwave irradiation 2: pyridine / ethyl acetate / 16 h / 20 °C 3: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 24 h / 20 °C View Scheme | |
Multi-step reaction with 5 steps 1.1: potassium carbonate / water; dimethyl sulfoxide / 0.2 h / 180 °C / sealed tube 2.1: hydrogenchloride; water / ethanol / 8 h / Reflux 3.1: acetic acid 3.2: 48 h / 20 °C 3.3: pH 11 4.1: pyridine / ethyl acetate / 16 h / 20 °C 5.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 24 h / 20 °C View Scheme |
3-bromoimidazo[1,2-a]pyrimidine
4-acetamidothiophenol
N-[4-(imidazo[1,2-a]pyrimidin-3-ylsulphanyl)phenyl]acetamide
Conditions | Yield |
---|---|
With potassium carbonate In water; dimethyl sulfoxide at 180℃; for 0.2h; sealed tube; |
3-bromoimidazo[1,2-a]pyrimidine
N-[6-(imidazo[1,2-a]pyrimidin-3-ylsulphanyl)-1,3-benzothiazol-2-yl]-3-(pyrrolidin-1-yl)propanamide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: potassium carbonate / water; dimethyl sulfoxide / 0.2 h / 190 °C / sealed tube; Microwave irradiation 2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; pyridine / 72 h / 20 - 50 °C View Scheme | |
Multi-step reaction with 4 steps 1.1: potassium carbonate / water; dimethyl sulfoxide / 0.2 h / 180 °C / sealed tube 2.1: hydrogenchloride; water / ethanol / 8 h / Reflux 3.1: acetic acid 3.2: 48 h / 20 °C 3.3: pH 11 4.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; pyridine / 72 h / 20 - 50 °C View Scheme |
3-bromoimidazo[1,2-a]pyrimidine
2-(4-cyclopropylpiperazin-1-yl)-N-[6-(imidazo[1,2-a]pyrimidin-3-ylsulphanyl)-1,3-benzothiazol-2-yl]acetamide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: potassium carbonate / water; dimethyl sulfoxide / 0.2 h / 190 °C / sealed tube; Microwave irradiation 2: hydrogenchloride / diethyl ether / 20 °C View Scheme | |
Multi-step reaction with 4 steps 1.1: potassium carbonate / water; dimethyl sulfoxide / 0.2 h / 180 °C / sealed tube 2.1: hydrogenchloride; water / ethanol / 8 h / Reflux 3.1: acetic acid 3.2: 48 h / 20 °C 3.3: pH 11 4.1: hydrogenchloride / diethyl ether / 20 °C View Scheme |
3-bromoimidazo[1,2-a]pyrimidine
A
(1R,2R)-N-[6-(imidazo[1,2-a]pyrimidin-3-ylsulphanyl)-1,3-benzothiazol-2-yl]-2-(morpholin-4-ylmethyl)cyclopropanecarboxamide
B
(1S,2S)-N-[6-(imidazo[1,2-a]pyrimidin-3-ylsulphanyl)-1,3-benzothiazol-2-yl]-2-(morpholin-4-ylmethyl)cyclopropanecarboxamide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: potassium carbonate / water; dimethyl sulfoxide / 0.2 h / 190 °C / sealed tube; Microwave irradiation 2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; pyridine View Scheme | |
Multi-step reaction with 4 steps 1.1: potassium carbonate / water; dimethyl sulfoxide / 0.2 h / 180 °C / sealed tube 2.1: hydrogenchloride; water / ethanol / 8 h / Reflux 3.1: acetic acid 3.2: 48 h / 20 °C 3.3: pH 11 4.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; pyridine View Scheme |
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The Imidazo[1,2-a]pyrimidine,3-bromo-, with the CAS registry number 6840-45-5, is also known as 3-Bromoimidazo-[1,2-a]-pyrimidine. It belongs to the product categories of Fluorobenzene; Pyrimidines; Fused Ring Systems and Halides. This chemical's molecular formula is C6H4BrN3 and molecular weight is 198.02. What's more, both its IUPAC name and systematic name are the same which is called 3-Bromoimidazo[1,2-a]pyrimidine. And it's yellowish crystal.
Physical properties about Imidazo[1,2-a]pyrimidine,3-bromo- are: (1) ACD/LogP: 1.35; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.35; (4) ACD/LogD (pH 7.4): 1.35; (5) ACD/BCF (pH 5.5): 6.29; (6) ACD/BCF (pH 7.4): 6.29; (7) ACD/KOC (pH 5.5): 129.72; (8) ACD/KOC (pH 7.4): 129.86; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 30.19 Å2; (13) Index of Refraction: 1.751; (14) Molar Refractivity: 42.71 cm3; (15) Molar Volume: 104.6 cm3; (16) Surface Tension: 61.8 dyne/cm; (17) Density: 1.89 g/cm3; (18) Melting Point: 158-160 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritant and may cause inflammation to the skin or other mucous membranes.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cnc2ncccn12
(2) InChI: InChI=1/C6H4BrN3/c7-5-4-9-6-8-2-1-3-10(5)6/h1-4H
(3) InChIKey: GNHZXUKWLSWKHB-UHFFFAOYAA