(1S,4S)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE
- Product Name
- (1S,4S)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE
- CAS No.
- 113451-59-5
- Chemical Name
- (1S,4S)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE
- Synonyms
- EOS-61878;(1S,4S)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE;(1S,4S)-5-Boc-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-N-BOC-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE;(1S,4S)-2-T-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE;(1S,4S)-(-)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE;(1S,4S)-2-N-T-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE;(1S,4S)-2-Boc-2,5-diazabicyclo2.2.1üheptane, 97%;(1S,4S)-2,5-Diazabicyclo(2,2,1)Heptane-2-Carboxylate;(1S,4S)-(-)-2-BOC-2,5-diazabicyclo[2.2.1]heptane,95%
- CBNumber
- CB7158599
- Molecular Formula
- C10H18N2O2
- Formula Weight
- 198.26
- MOL File
- 113451-59-5.mol
(1S,4S)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE Property
- Melting point:
- 74-76 °C(lit.)
- alpha
- -44o (C=1 IN CHLOROFORM)
- Boiling point:
- 276.4±15.0 °C(Predicted)
- Density
- 1.104±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Powder
- pka
- 9.74±0.20(Predicted)
- color
- White to slightly beige
- optical activity
- [α]22/D 44°, c = 1 in chloroform
- Water Solubility
- Insoluble in water.
- Sensitive
- Air Sensitive
- BRN
- 6460311
- InChI
- InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
- InChIKey
- UXAWXZDXVOYLII-YUMQZZPRSA-N
- SMILES
- [C@]12([H])C[C@]([H])(NC1)CN2C(OC(C)(C)C)=O
- CAS DataBase Reference
- 113451-59-5(CAS DataBase Reference)
Safety
- Risk Statements
- 34
- Safety Statements
- 22-24/25-45-36/37/39-26
- RIDADR
- 3263
- WGK Germany
- 3
- HS Code
- 29335990
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
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P309IF exposed or if you feel unwell:
P310Immediately call a POISON CENTER or doctor/physician.
N-Bromosuccinimide Price
- Product number
- 473049
- Product name
- (1S,4S)-(?)-2-Boc-2,5-diazabicyclo[2.2.1]heptane
- Purity
- 95%
- Packaging
- 1g
- Price
- $186
- Updated
- 2025/07/31
- Product number
- 473049
- Product name
- (1S,4S)-(?)-2-Boc-2,5-diazabicyclo[2.2.1]heptane
- Purity
- 95%
- Packaging
- 5g
- Price
- $525
- Updated
- 2025/07/31
- Product number
- D6152
- Product name
- tert-Butyl (1S,4S)-2,5-Diazabicyclo[2.2.1]heptane-2-carboxylate
- Purity
- min. 98.0 %
- Packaging
- 1G
- Price
- $97
- Updated
- 2025/07/31
- Product number
- B646558
- Product name
- (1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane
- Packaging
- 250mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- B646558
- Product name
- (1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane
- Packaging
- 500mg
- Price
- $60
- Updated
- 2021/12/16
(1S,4S)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE Chemical Properties,Usage,Production
Chemical Properties
White to slightly beige powder
Uses
It is used as an active pharmaceutical intermediate.
Synthesis
113451-54-0
113451-59-5
Methylsulfonate 17 (1.2 g, 3.78 mmol) was used as raw material, which was suspended in anhydrous THF (38 mL), triphenylphosphine (1.48 g, 5.66 mmol) was added, and the reaction was stirred at room temperature for 2 hours. Subsequently, H2O (0.5 mL) was added and stirring was continued for 18 hours. Upon completion of the reaction, the solvent was removed under reduced pressure and the residue was suspended in 1 M hydrochloric acid (150 mL) and extracted with CH2Cl2 (2 x 70 mL). The aqueous layer was adjusted to pH 14 with base and then extracted with CH2Cl2 (3 × 70 mL). The organic phases were combined, washed with brine (100 mL), dried over anhydrous MgSO4 and concentrated under reduced pressure. Purification by rapid chromatography on silica gel with the eluent CH2Cl2-methanol-ammonia (90:9:1) afforded the target product amine 18 (0.52 g, 2.62 mmol, 71% yield) as a colorless solid. The product characterization data were as follows: melting point 76.8-77.9 °C; specific spin [α]D -47.6 (c 1.0, CHCl3); IR spectra (νmax/cm-1) 2975, 1688, 1408, 1170; 1H NMR (500 MHz, CDCl3) δ 4.43 (0.5H, s), 4.30 (0.5H, s), 3.69 (1H, s), 3.38-3.32 (1H, m), 3.19-3.13 (1H, m), 3.06-2.97 (2H, m), 1.75-1.65 (2H, m), 1.45-1.43 (9H, m); 13C NMR (125 MHz, CDCl3) δ 154.6, 154.3, 79.6, 79.5, 57.3, 56.6, 56.5, 56.3, 56.1, 52.8, 52.7, 37.2, 37.0, 28.66; mass spectra (APCI) m/z 199 ([M+H]+, 100).
References
[1] Journal of Organic Chemistry, 1988, vol. 53, # 7, p. 1580 - 1582
[2] Tetrahedron Letters, 2013, vol. 54, # 39, p. 5345 - 5347
(1S,4S)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from (1S,4S)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE manufacturers
- Product
- (1S,4S)-()-2-Boc-2,5-diazabicyclo[2.2.1]heptane 113451-59-5
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-06-27
- Product
- (1S,4S)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE 113451-59-5
- Price
- US $1.00/kg
- Min. Order
- 1kg
- Purity
- 98%min
- Supply Ability
- 500kg
- Release date
- 2018-12-20