Carbamic acid, [(3S)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester (9CI)
- Product Name
- Carbamic acid, [(3S)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester (9CI)
- CAS No.
- 213990-48-8
- Chemical Name
- Carbamic acid, [(3S)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester (9CI)
- Synonyms
- (S)-3-Boc-amino-azepane;(S)-3-N-BOC-AMINOAZEPANE;(S)-tert-butyl azepan-3-ylcarbaMate;tert-butyl (S)-azepan-3-ylcarbamate;Tert-butyl N-[(3s)-azepan-3-yl]carbamate;Azepan-3-yl-carbaMic acid tert-butyl ester;Tert-butyl N-[(3s)-azepan-3-yl]carbamate HCL;tert-Butyl N-[(3S)-hexahydro-1H-azepin-3-yl]carbamate;1,1-Dimethylethyl N-[(3S)-hexahydro-1H-azepin-3-yl]carbamate;Carbamic acid,[(3S)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester
- CBNumber
- CB81056088
- Molecular Formula
- C11H22N2O2
- Formula Weight
- 214.3
- MOL File
- 213990-48-8.mol
Carbamic acid, [(3S)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester (9CI) Property
- Boiling point:
- 322.7±31.0 °C(Predicted)
- Density
- 1.01±0.1 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 12.37±0.20(Predicted)
- Appearance
- White to off-white Solid
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
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
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.
P321Specific treatment (see … on this label).
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
N-Bromosuccinimide Price
- Product number
- AS111441
- Product name
- (S)-tert-Butyl azepan-3-ylcarbamate
- Purity
- 97% ee
- Packaging
- 250mg
- Price
- $388
- Updated
- 2021/12/16
- Product number
- 0876AB
- Product name
- (S)-tert-Butylazepan-3-ylcarbamate
- Packaging
- 250mg
- Price
- $417
- Updated
- 2021/12/16
- Product number
- CCH0033528
- Product name
- (S)-TERT-BUTYL AZEPAN-3-YLCARBAMATE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $502.04
- Updated
- 2021/12/16
- Product number
- AS111441
- Product name
- (S)-tert-Butyl azepan-3-ylcarbamate
- Purity
- 97% ee
- Packaging
- 100mg
- Price
- $287
- Updated
- 2021/12/16
- Product number
- 0876AB
- Product name
- (S)-tert-Butylazepan-3-ylcarbamate
- Packaging
- 1g
- Price
- $952
- Updated
- 2021/12/16
Carbamic acid, [(3S)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester (9CI) Chemical Properties,Usage,Production
Synthesis
860354-53-6
213990-48-8
Under nitrogen protection, benzyl (3S)-3-[(tert-butoxycarbonyl)amino]azepane-1-carboxylate (17.4 g, 50 mmol) was dissolved in methanol (200 mL), followed by careful addition of palladium hydroxide (Pd(OH)2). A hydrogen gas balloon was introduced into the reaction system and the reaction mixture was stirred overnight at room temperature. Upon completion of the reaction, the reaction mixture was filtered through a diatomaceous earth pad and the filtrate was concentrated under reduced pressure to afford tert-butyl (S)-azepane-3-carbamate (10.5 g, 98% yield), which can be used in the next step of the reaction without further purification. The product was characterized as follows: 1H NMR (d6-DMSO) δ: 6.61 (d, 1H), 3.41 (m, 2H), 2.83 (m, 1H), 2.69 (m, 1H), 2.46 (m, 1H), 1.68 (m, 2H), 1.54 (m, 2H), 1.44 (m, 2H), 1.38 (m, 1H), 1.37 (s , 9H).LCMS (APCI): m/z = 215 [M+H]+.
References
[1] Patent: WO2005/66163, 2005, A2. Location in patent: Page/Page column 60
Carbamic acid, [(3S)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester (9CI) Preparation Products And Raw materials
Raw materials
Preparation Products
Carbamic acid, [(3S)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester (9CI) Suppliers
- Tel
- 025-83697070
- Fax
- +86-25-83453306
- info@chemlin.com.cn
- Country
- China
- ProdList
- 16075
- Advantage
- 64
- Tel
- 0513-85921823 18662920231
- Fax
- 86-513-85012876
- sales@ntminyanmedical.com
- Country
- China
- ProdList
- 4108
- Advantage
- 58
- Tel
- 021-61478794
- Fax
- 021-61478794
- sales@hcshhai.com
- Country
- China
- ProdList
- 9793
- Advantage
- 50
- Tel
- +86 (21) 61124340
- Fax
- +86 (21) 6129-4103
- Country
- China
- ProdList
- 9756
- Advantage
- 58
- Tel
- 021-64340559 13651849907;
- Fax
- 021- 64345308
- xinyu_shi@jwypharmlab.com.cn
- Country
- China
- ProdList
- 12000
- Advantage
- 58
- Tel
- 571-89925085
- Fax
- 0086-571-89925065
- sales@amadischem.com
- Country
- China
- ProdList
- 131957
- Advantage
- 58
- Tel
- 0512-56316828
- Fax
- 0512-56316826
- info@amateksci.com
- Country
- China
- ProdList
- 28785
- Advantage
- 58
- Tel
- 025-58859352 18068836627
- Fax
- (5)02557626880
- dt3@aikonchem.com
- Country
- China
- ProdList
- 15493
- Advantage
- 58
- Tel
- 021-54338626 18017892860
- Fax
- 021-54338626
- sales@tubepharm.com
- Country
- China
- ProdList
- 2572
- Advantage
- 58
- Tel
- 13382066392
- Country
- CHINA
- ProdList
- 4877
- Advantage
- 58