tert-butyl 3-hydroxyazepane-1-carboxylate
- Product Name
- tert-butyl 3-hydroxyazepane-1-carboxylate
- CAS No.
- 478841-10-0
- Chemical Name
- tert-butyl 3-hydroxyazepane-1-carboxylate
- Synonyms
- 1-Boc-3-Hydroxy-Azepane;tert-butyl 3-hydroxyazepane-1-carboxylate - [B86805];1H-Azepine-1-carboxylic acid, hexahydro-3-hydroxy-, 1,1-dimethylethyl ester
- CBNumber
- CB92684195
- Molecular Formula
- C11H21NO3
- Formula Weight
- 215.29
- MOL File
- 478841-10-0.mol
tert-butyl 3-hydroxyazepane-1-carboxylate Property
- Boiling point:
- 310.6±35.0 °C(Predicted)
- Density
- 1.079±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.74±0.20(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-5-4-6-9(13)8-12/h9,13H,4-8H2,1-3H3
- InChIKey
- YLXNIRRSRXUTCK-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCCCC(O)C1
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
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- B704213
- Product name
- tert-butyl3-hydroxyazepane-1-carboxylate
- Packaging
- 100mg
- Price
- $175
- Updated
- 2021/12/16
- Product number
- 5202AQ
- Product name
- tert-butyl3-hydroxyazepane-1-carboxylate
- Packaging
- 250mg
- Price
- $273.2
- Updated
- 2021/12/16
- Product number
- CS-0039169
- Product name
- tert-Butyl3-hydroxyazepane-1-carboxylate
- Packaging
- 1g
- Price
- $413
- Updated
- 2021/12/16
- Product number
- CHM0385648
- Product name
- 1-BOC-3-HYDROXY-AZEPANE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $505.08
- Updated
- 2021/12/16
- Product number
- 478841100
- Product name
- tert-Butyl3-hydroxyazepane-1-carboxylate
- Packaging
- 1g
- Price
- $590.42
- Updated
- 2021/12/16
tert-butyl 3-hydroxyazepane-1-carboxylate Chemical Properties,Usage,Production
Synthesis
870842-23-2
478841-10-0
General procedure for the synthesis of tert-butyl 3-hydroxyazepane-1-carboxylate from N-Boc-3-azepanone: Sodium borohydride (NaBH4) (0.98 g, 25.8 mmol) was added batchwise to a solution of N-Boc-3-azepanone (5.5 g, 25.8 mmol) in methanol (55 mL) at 0 °C, and the progress of the reaction was monitored by thin-layer chromatography (TLC). Upon completion of the reaction, the pH of the reaction mixture was adjusted to 5 to 6 with hydrochloric acid (HCl) solution, followed by filtration and extraction with dichloromethane (DCM, 100 mL x 3). The organic phases were combined, dried with anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure to afford tert-butyl 3-hydroxyazepane-1-carboxylate (oil, 4.8 g, 87% yield). The structure of the product was confirmed by 1H NMR (400 MHz, d6-DMSO): δppm 3.95-3.93 (m, 1H), 3.71-3.62 (m, 2H), 3.40 (m, 1H), 3.32-3.28 (m, 1H), 3.03 (m, 1H), 1.88-1.65 (m, 4H), 1.55-1.36 ( m, 11H).
References
[1] Patent: US2017/313683, 2017, A1. Location in patent: Paragraph 1046-1047
[2] Patent: WO2012/80990, 2012, A1. Location in patent: Page/Page column 129-130
[3] Patent: US2012/190678, 2012, A1. Location in patent: Page/Page column 80
[4] Process Biochemistry, 2017, vol. 56, p. 90 - 97
[5] Patent: WO2018/26371, 2018, A1. Location in patent: Paragraph 0174
tert-butyl 3-hydroxyazepane-1-carboxylate Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from tert-butyl 3-hydroxyazepane-1-carboxylate manufacturers
- Product
- tert-butyl 3-hydroxyazepane-1-carboxylate 478841-10-0
- Price
- US $8.00/KG
- Min. Order
- 1g
- Purity
- Min98% HPLC/GC
- Supply Ability
- g/kg/ton
- Release date
- 2020-10-28
- Product
- tert-butyl 3-hydroxyazepane-1-carboxylate 478841-10-0
- Price
- US $32.00-1.50/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2024-03-22