6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole
- Product Name
- 6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole
- CAS No.
- 1231930-33-8
- Chemical Name
- 6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole
- Synonyms
- 6-Bromo-4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazole;Abemaciclib Impurity 1;Abemaciclib Impurity N4;Abemaciclib Impurity 1 D5;Abemaciclib Impurity 1 D12;6-bromo-4-fluoro-2-methyl-1-(1-methylethyl)-;6-Bromo-4-fluoro-1-isopropyl-2-methylbenzimidazole;6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzimidazole;6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole
- CBNumber
- CB92500134
- Molecular Formula
- C11H12BrFN2
- Formula Weight
- 271.13
- MOL File
- 1231930-33-8.mol
6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole Property
- Boiling point:
- 353.4±22.0 °C(Predicted)
- Density
- 1.49
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.48±0.10(Predicted)
- Appearance
- Off-white to yellow Solid
- InChI
- InChI=1S/C11H12BrFN2/c1-6(2)15-7(3)14-11-9(13)4-8(12)5-10(11)15/h4-6H,1-3H3
- InChIKey
- SJQZRZLUEGCXFN-UHFFFAOYSA-N
- SMILES
- C1(C)N(C(C)C)C2=CC(Br)=CC(F)=C2N=1
Safety
- HS Code
- 2933998090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P321Specific treatment (see … on this label).
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- B692398
- Product name
- 6-Bromo-4-fluoro-1-isopropyl-2-methyl-1h-benzo[d]imidazole
- Packaging
- 500mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- 090163
- Product name
- 6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole
- Purity
- 95+%
- Packaging
- 1g
- Price
- $89
- Updated
- 2021/12/16
- Product number
- X9551
- Product name
- 6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole
- Packaging
- 1g
- Price
- $158
- Updated
- 2021/12/16
- Product number
- PC28238
- Product name
- 6-Bromo-4-fluoro-1-isopropyl-2-methyl-benzimidazole
- Packaging
- 1g
- Price
- $235
- Updated
- 2021/12/16
- Product number
- HCH0367778
- Product name
- 6-BROMO-4-FLUORO-1-ISOPROPYL-2-METHYL-1H-BENZO[D]IMIDAZOLE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $501.69
- Updated
- 2021/12/16
6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole Chemical Properties,Usage,Production
Uses
6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole is a pharmaceutical intermediate. It can be used in the preparation of Abemaciclib, a kinase inhibitor for the treatment of adult patients with hormone receptor (HR)-positive, human epidermal growth factor receptor 2 (HER2)-negative advanced or metastatic breast cancer who have experienced disease progression following endocrine therapy and prior chemotherapy.
Flammability and Explosibility
Not classified
Synthesis
1231930-29-2
1231930-33-8
The general procedure for the synthesis of 6-bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[D]imidazole using (E)-N-(4-bromo-2,6-difluorophenyl)-N'-isopropylacetamidine as starting material was as follows: potassium tert-butanolate (6.9 kg) was added batchwise to a (E)-N-(4-bromo-2,6-difluorophenyl)-N'-isopropylacetamidine (16.2 kg) N-methylformamide (76 kg) solution while controlling the reaction temperature below 30°C. The reaction mixture was heated to 70-75°C until the completion of the reaction was monitored by HPLC. The reaction solution was then cooled to 20-30°C and the reaction was quenched by addition of water (227 kg). Extraction was carried out with methyl tert-butyl ether (37 x 4 kg) and the combined organic phases were washed with brine (49 x 2 kg). The organic phase was concentrated to 25-30 L, n-hexane (64 kg) was added and the resulting slurry was filtered to give 6-bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[D]imidazole (11 kg). Mass spectrum (ES+): m/z = 272 (M + H)+. For further purification, the crude product was dissolved in dichloromethane, filtered through silica gel and Celite pads, and finally recrystallized from a mixed solvent of methyl tert-butyl ether/hexane.
References
[1] Patent: US2010/160340, 2010, A1. Location in patent: Page/Page column 10
[2] Patent: WO2015/130540, 2015, A1. Location in patent: Page/Page column 22
6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole Preparation Products And Raw materials
Raw materials
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View Lastest Price from 6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole manufacturers
- Product
- 6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole 1231930-33-8
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 1
- Release date
- 2025-08-28
- Product
- 6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole 1231930-33-8
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1000kg
- Release date
- 2025-06-11
- Product
- 6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole 1231930-33-8
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-10-08