Carbamic acid, N-?(3-?oxocyclopentyl)?-?, 1,?1-?dimethylethyl ester
- Product Name
- Carbamic acid, N-?(3-?oxocyclopentyl)?-?, 1,?1-?dimethylethyl ester
- CAS No.
- 847416-99-3
- Chemical Name
- Carbamic acid, N-?(3-?oxocyclopentyl)?-?, 1,?1-?dimethylethyl ester
- Synonyms
- ML213;3-(Boc-aMino)cyclopentanone;1-(Boc-amino)-3-oxocyclopentane;2-Methyl-2-propanyl (3-oxocyclopentyl)carbamate;1,1-Dimethylethyl N-(3-oxocyclopentyl)carbamate;(3-Oxo-cyclopentyl)-carbamic acid tert-butyl ester;Carbamic acid, N-(3-oxocyclopentyl)-, 1,1-dimethylethyl ester
- CBNumber
- CB81052666
- Molecular Formula
- C10H17NO3
- Formula Weight
- 199.25
- MOL File
- 847416-99-3.mol
Carbamic acid, N-?(3-?oxocyclopentyl)?-?, 1,?1-?dimethylethyl ester Property
- Boiling point:
- 319.2±31.0 °C(Predicted)
- Density
- 1.07±0.1 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 11.89±0.20(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-7-4-5-8(12)6-7/h7H,4-6H2,1-3H3,(H,11,13)
- InChIKey
- CLOXAWYNXXEWBT-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)NC1CCC(=O)C1
Safety
- HS Code
- 2924297099
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
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.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- 4519
- Product name
- ML213
- Purity
- ≥99%(HPLC)
- Packaging
- 10
- Price
- $184
- Updated
- 2021/12/16
- Product number
- 4519
- Product name
- ML213
- Purity
- ≥99%(HPLC)
- Packaging
- 50
- Price
- $785
- Updated
- 2021/12/16
- Product number
- B667933
- Product name
- 3-(Boc-amino)cyclopentanone
- Packaging
- 500mg
- Price
- $155
- Updated
- 2021/12/16
- Product number
- 255853
- Product name
- ML 213
- Packaging
- 10mg
- Price
- $423
- Updated
- 2021/12/16
- Product number
- CS-W004951
- Product name
- tert-Butyl(3-oxocyclopentyl)carbamate
- Purity
- >97.0%
- Packaging
- 1g
- Price
- $56
- Updated
- 2021/12/16
Carbamic acid, N-?(3-?oxocyclopentyl)?-?, 1,?1-?dimethylethyl ester Chemical Properties,Usage,Production
Uses
ML-213 is a selective KV7.2 (KCNQ2) and KV7.4 (KCNQ4) channel opener (EC50 values are 230 and 510 nM for KV7.2 and KV7.4 respectively). ML-213 displays >80-fold selectivity against KV7.1, KV7.3 and KV7.5 in a thallium-based fluorescence assay.
Synthesis
930-30-3
4248-19-5
847416-99-3
To a stirred suspension of cyclopent-2-en-1-one (2.50 g, 30.5 mmol) in dichloromethane (60 mL) was added tert-butyl carbamate (3.60 g, 30.5 mmol) and the reaction was stirred for 10-15 minutes. Subsequently, bismuth nitrate (14.70 g, 30.5 mmol) was added in batches and stirring was continued for about 5 hours at room temperature. After completion of the reaction, the reaction mixture was diluted with dichloromethane and filtered through a bed of diatomaceous earth. The filtrate was quenched with saturated sodium bicarbonate solution and the dichloromethane layer was separated. The aqueous layer was extracted with dichloromethane, the organic extracts were combined, dried with anhydrous sodium sulfate and concentrated to give the crude product. The crude product was purified by combiflash chromatography system using hexane solution of 10-15% ethyl acetate as eluent to give tert-butyl (3-oxocyclopentyl)carbamate as white solid (6.50 g, 36% yield). Mass spectrum (MS): 200.20 (M + H).
References
[1] Patent: WO2015/25197, 2015, A1. Location in patent: Paragraph 000136
Carbamic acid, N-?(3-?oxocyclopentyl)?-?, 1,?1-?dimethylethyl ester Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Carbamic acid, N-?(3-?oxocyclopentyl)?-?, 1,?1-?dimethylethyl ester manufacturers
- Product
- 3-(Boc-amino)cyclopentanone 847416-99-3
- Price
- US $0.00-0.00/KG
- Min. Order
- 1g
- Purity
- 98%min
- Supply Ability
- 100kgs/month
- Release date
- 2021-11-22