Cas no 2838445-26-2 (tert-butyl 4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate)
Tert-butyl 4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate is a protected diazepane derivative featuring a trifluoroethyl substituent, which enhances its utility in medicinal chemistry and pharmaceutical synthesis. The tert-butyloxycarbonyl (Boc) group provides stability and facilitates selective deprotection under mild acidic conditions, making it valuable for multi-step synthetic routes. The trifluoroethyl moiety introduces electron-withdrawing properties, potentially improving metabolic stability and binding affinity in drug design. This compound serves as a versatile intermediate for constructing complex heterocycles, particularly in the development of bioactive molecules targeting central nervous system disorders. Its well-defined reactivity and compatibility with diverse reaction conditions make it a reliable building block for research and industrial applications.
2838445-26-2 structure
Product Name:tert-butyl 4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate
CAS No:2838445-26-2
MF:C12H21F3N2O2
MW:282.302553892136
CID:5309047
PubChem ID:165433623
Update Time:2025-06-23
tert-butyl 4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- AKOS040854140
- 2838445-26-2
- F1916-7323
- tert-butyl 4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate
- 1,1-Dimethylethyl hexahydro-4-(2,2,2-trifluoroethyl)-1H-1,4-diazepine-1-carboxylate
-
- Inchi： 1S/C12H21F3N2O2/c1-11(2,3)19-10(18)17-6-4-5-16(7-8-17)9-12(13,14)15/h4-9H2,1-3H3
- InChI Key： WHPRQZUSSUUOGG-UHFFFAOYSA-N
- SMILES： N1(C(OC(C)(C)C)=O)CCCN(CC(F)(F)F)CC1
Computed Properties
- Exact Mass: 282.15551240g/mol
- Monoisotopic Mass: 282.15551240g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 313
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 32.8?2
Experimental Properties
- Density: 1.140±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- Boiling Point: 283.8±40.0 °C(Predicted)
- pka: 4.71±0.10(Predicted)
tert-butyl 4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Life Chemicals | F1916-7323-2μmol |
tert-butyl 4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate |
2838445-26-2 | 90%+ | 2μl |
$57.0 | 2023-05-08 | |
| Life Chemicals | F1916-7323-5μmol |
tert-butyl 4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate |
2838445-26-2 | 90%+ | 5μl |
$63.0 | 2023-05-08 | |
| Life Chemicals | F1916-7323-10μmol |
tert-butyl 4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate |
2838445-26-2 | 90%+ | 10μl |
$69.0 | 2023-05-08 | |
| Life Chemicals | F1916-7323-20μmol |
tert-butyl 4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate |
2838445-26-2 | 90%+ | 20μl |
$79.0 | 2023-05-08 | |
| Life Chemicals | F1916-7323-1mg |
tert-butyl 4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate |
2838445-26-2 | 90%+ | 1mg |
$54.0 | 2023-05-08 | |
| Life Chemicals | F1916-7323-2mg |
tert-butyl 4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate |
2838445-26-2 | 90%+ | 2mg |
$59.0 | 2023-05-08 | |
| Life Chemicals | F1916-7323-3mg |
tert-butyl 4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate |
2838445-26-2 | 90%+ | 3mg |
$63.0 | 2023-05-08 | |
| Life Chemicals | F1916-7323-4mg |
tert-butyl 4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate |
2838445-26-2 | 90%+ | 4mg |
$66.0 | 2023-05-08 | |
| Life Chemicals | F1916-7323-5mg |
tert-butyl 4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate |
2838445-26-2 | 90%+ | 5mg |
$69.0 | 2023-05-08 | |
| Life Chemicals | F1916-7323-10mg |
tert-butyl 4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate |
2838445-26-2 | 90%+ | 10mg |
$79.0 | 2023-05-08 |
tert-butyl 4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate Related Literature
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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