ChemicalBook > CAS DataBase List > Carbamic acid, [(3S)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester (9CI)

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
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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
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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.

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N-Bromosuccinimide Price

Activate Scientific
Product number
AS111441
Product name
(S)-tert-Butyl azepan-3-ylcarbamate
Purity
97% ee
Packaging
100mg
Price
$287
Updated
2021/12/16
Activate Scientific
Product number
AS111441
Product name
(S)-tert-Butyl azepan-3-ylcarbamate
Purity
97% ee
Packaging
250mg
Price
$388
Updated
2021/12/16
AK Scientific
Product number
0876AB
Product name
(S)-tert-Butylazepan-3-ylcarbamate
Packaging
250mg
Price
$417
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CCH0033528
Product name
(S)-TERT-BUTYL AZEPAN-3-YLCARBAMATE
Purity
95.00%
Packaging
5MG
Price
$502.04
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CCH0033528
Product name
(S)-TERT-BUTYL AZEPAN-3-YLCARBAMATE
Purity
95.00%
Packaging
1G
Price
$879.9
Updated
2021/12/16
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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

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Carbamic acid, [(3S)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester (9CI) Suppliers

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213990-48-8, Carbamic acid, [(3S)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester (9CI)Related Search:


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