tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride

Product Name: tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride
CAS No.: 134003-84-2
Chemical Name: tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride
Synonyms: tert-Butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;(1R,4R);(1R,4R)-5-Boc-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-Boc-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-5-N-Boc-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-Boc- 2,5-diazabicyclo[2.2.1]heptane-HCl;(1R,4R)-tert-Butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxyl...;tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride;1,1-Dimethylethyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CBNumber: CB72597666
Molecular Formula: C10H18N2O2
Formula Weight: 198.26
MOL File: 134003-84-2.mol

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tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride Property

Boiling point:: 276.4±15.0 °C(Predicted)
Density: 1.104±0.06 g/cm3(Predicted)
storage temp.: 2-8°C
pka: 9.74±0.20(Predicted)
form: solid
color: White
optical activity: Consistent with structure
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-/m1/s1
InChIKey: UXAWXZDXVOYLII-HTQZYQBOSA-N
SMILES: [C@@]12([H])C[C@@]([H])(NC1)CN2C(OC(C)(C)C)=O

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Safety

WGK Germany: 3
HS Code: 2933998090

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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

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P271Use only outdoors or in a well-ventilated area.

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N-Bromosuccinimide Price

TRC

Product number: B646560
Product name: (1R,4R)-5-Boc-2,5-diazabicyclo[2.2.1]heptane
Packaging: 100mg
Price: $45
Updated: 2021/12/16

ChemScene

Product number: CS-0044351
Product name: (1R,4R)-tert-Butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Purity: >97.0%
Packaging: 100mg
Price: $47
Updated: 2021/12/16

ChemScene

Product number: CS-0044351
Product name: (1R,4R)-tert-Butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Purity: >97.0%
Packaging: 250mg
Price: $71
Updated: 2021/12/16

Apolloscientific

Product number: OR315595
Product name: (1R,4R)-tert-Butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Purity: 97%
Packaging: 250mg
Price: $116
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB166701
Product name: (1R,4R)-tert-Butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Packaging: 50mg
Price: $125
Updated: 2021/12/16

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tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride Chemical Properties,Usage,Production

Uses

(1R,4R)-5-Boc-2,5-diazabicyclo[2.2.1]heptane is a useful reagent employed in the preparation of tetrahydroisoquinolines as CXCR4 antagonists.

Synthesis

134003-83-1

134003-84-2

Example 15B: Synthesis of tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate The product of Example 15A, (1R,4R)-5-benzyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester (2 g, 6.9 mmol) was dissolved in 50 mL of ethanol and 10% Pd/C catalyst (150 mg) was added. The reaction was stirred under hydrogen atmosphere (1 atm) for 16 hours. After completion of the reaction, the catalyst was removed by filtration and the filtrate was concentrated under reduced pressure to give the white solid product tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate (1.28 g, 93.4% yield). Product characterization data: 1H NMR (DMSO-d6, MHz) δ 1.39 (s, 9H), 1.54 (d, J = 5.6 Hz, 1H), 1.58 (t, J = 9.5 Hz, 1H), 2.70-2.81 (m, 2H), 3.17 (m, 1H), 3.50 (s, 1H), 4.17 (d, J = 10.17 Hz, 1H). MS (DCI/NH3) m/z 199 (M + H)+, 216 (M + NH4)+.

References

[1] Patent: EP1147112, 2003, B1. Location in patent: Page/Page column 19
[2] Patent: US2003/225268, 2003, A1. Location in patent: Page 21
[3] Patent: US2005/101602, 2005, A1. Location in patent: Page/Page column 37
[4] RSC Advances, 2015, vol. 5, # 14, p. 10386 - 10392
[5] Journal of Medicinal Chemistry, 2007, vol. 50, # 15, p. 3627 - 3644

tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride Preparation Products And Raw materials

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Preparation Products

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View Lastest Price from tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD

Product: tert-butyl(1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride 134003-84-2
Price: US $2.00-6.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 100kg
Release date: 2025-08-05

Career Henan Chemical Co

Product: tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride 134003-84-2
Price: US $1.00/KG
Min. Order: 1KG
Purity: 98%-99.9%
Supply Ability: 100kg
Release date: 2020-01-10

134003-84-2, tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochlorideRelated Search:

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(1R,4R)-tert-butyl 2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylate HCl 134003-84-2

(1R,4R)

tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride

tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride

(1R,4R)-tert-Butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

(1R,4R)-5-Boc-2,5-diazabicyclo[2.2.1]heptane

(1R,4R)-5-N-Boc-2,5-diazabicyclo[2.2.1]heptane

2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid, 1,1-dimethylethyl ester, (1R,4R)-

(1R,4R)-2-Boc-2,5-diazabicyclo[2.2.1]heptane

tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxyl...

tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate - [B18772]

134003-84-2