ChemicalBook > CAS DataBase List > (1S,4S)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE

(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
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(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)
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Safety

Risk Statements 
34
Safety Statements 
22-24/25-45-36/37/39-26
RIDADR 
3263
WGK Germany 
3
HS Code 
29335990
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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

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.

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N-Bromosuccinimide Price

Sigma-Aldrich
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
Sigma-Aldrich
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
TCI Chemical
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
TRC
Product number
B646558
Product name
(1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane
Packaging
250mg
Price
$45
Updated
2021/12/16
TRC
Product number
B646558
Product name
(1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane
Packaging
500mg
Price
$60
Updated
2021/12/16
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(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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(1S,4S)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE Suppliers

Shanghai Join Biological Pharmaceutical Co., Ltd.
Tel
13818361018
Fax
-
Email
shzuolin@163.com
Country
China
ProdList
49
Advantage
50
Chengdu Dorher Pharmaceutical CO.,Ltd
Tel
028-64259743; 19983537320
Email
bd-focus@focuspharm.com
Country
China
ProdList
682
Advantage
58
Chengdu Firster Pharmaceutical Co., Ltd.
Tel
19138996873
Email
670603485@qq.com
Country
China
ProdList
172
Advantage
58
J & K SCIENTIFIC LTD.
Tel
18210857532; 18210857532
Fax
86-10-82849933
Email
jkinfo@jkchemical.com
Country
China
ProdList
96815
Advantage
76
Chembest Research Laboratories Limited
Tel
+86-21-20908456
Fax
021-58180499
Email
sales@BioChemBest.com
Country
China
ProdList
6003
Advantage
61
Alfa Aesar
Tel
400-6106006
Fax
021-67582001/03/05
Email
saleschina@alfa-asia.com
Country
China
ProdList
30123
Advantage
84
Ark Pharm, Inc.
Tel
847-367-3680
Fax
847-367-3681
Email
sales@arkpharminc.com
Country
United States
ProdList
1670
Advantage
56
Energy Chemical
Tel
021-021-58432009 400-005-6266
Fax
021-58436166
Email
sales8178@energy-chemical.com
Country
China
ProdList
44801
Advantage
61
Wuhan Chemwish Technology Co., Ltd
Tel
86-027-67849912
Fax
86-027-87531808
Email
sales@chemwish.com
Country
China
ProdList
35896
Advantage
56
Capot Chemical Co., Ltd
Tel
+86 (0) 571 85 58 67 18
Fax
0086-571-85864795
Country
China
ProdList
18207
Advantage
66
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View Lastest Price from (1S,4S)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE manufacturers

Zhuozhou Wenxi import and Export Co., Ltd
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
Career Henan Chemical Co
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

113451-59-5, (1S,4S)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANERelated Search:


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