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| | 1-BOC-1,7-DIAMINOHEPTANE Basic information |
| Product Name: | 1-BOC-1,7-DIAMINOHEPTANE | | Synonyms: | N-(tert-butoxycarbonyl)-1,7-heptanediamine;Heptane-1,7-diamine, N-Boc protected;1-BOC-1,7-DIAMINOHEPTANE;TERT-BUTYL 7-AMINOHEPTYLCARBAMATE;1,7-Diaminoheptane, N1-BOC protected;1,7-Diaminoheptane, N1-BOC protected 95%;tert-Butyl 7-aminoheptylcarbamate
1-Boc-1,7-diaminoheptane
1,7-Diaminoheptane N1-boc protected;N1-BOC-1,7-DIAMINOHEPTANE | | CAS: | 99733-18-3 | | MF: | C12H26N2O2 | | MW: | 230.35 | | EINECS: | | | Product Categories: | pharmacetical | | Mol File: | 99733-18-3.mol |  |
| | 1-BOC-1,7-DIAMINOHEPTANE Chemical Properties |
| Boiling point | 340.9±25.0 °C(Predicted) | | density | 0.949±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C(protect from light) | | form | liquid | | pka | 12.94±0.46(Predicted) | | color | Colourless | | InChI | 1S/C12H26N2O2/c1-12(2,3)16-11(15)14-10-8-6-4-5-7-9-13/h4-10,13H2,1-3H3,(H,14,15) | | InChIKey | DTJYPERGUPPXRU-UHFFFAOYSA-N | | SMILES | O=C(OC(C)(C)C)NCCCCCCCN |
| Hazard Codes | Xi | | Hazard Note | Irritant | | HS Code | 2921599090 |
| | 1-BOC-1,7-DIAMINOHEPTANE Usage And Synthesis |
| Description | tert-Butyl (7-aminoheptyl)carbamate is an alkane chain with terminal amine and Boc-protected amino groups. The compound can be used as a PROTAC linker in the synthesis of PROTACs and other conjugation applications. Amine group is reactive with carboxylic acids, activated NHS esters, carbonyls (ketone, aldehyde) etc. The Boc group can be deprotected under mild acidic conditions to form the free amine. | | Uses | tert-Butyl (7-aminoheptyl)carbamate (tert-Butyl 2,8-diaminooctanoate) is a PROTAC linker. tert-Butyl (7-aminoheptyl)carbamate can be used to synthesis CPD-10 (HY-168660)[1]. | | Synthesis | General procedure: preparation of mono-Boc-protected 1,7-diaminoheptane. Di-tert-butyl dicarbonate (Boc2O, 0.500 g, 2.291 mmol) was dissolved in chloroform (CHCl3, 10 mL) and the solution was added slowly and dropwise to a solution of 1,7-diaminoheptane (11.45 mmol) in chloroform (50 mL). The reaction mixture was stirred at room temperature for 24 hours. Subsequently, the reaction solution was concentrated and purified by fast column chromatography (silica gel, SiO2) using a gradient elution (0-10% MeOH) with chloroform/methanol (MeOH) containing 1% triethylamine (Et3N) to afford mono-Boc-protected 1,7-diaminoheptane ((tert-butyl (7-aminoheptyl)carbamate) as a colorless semi-solid (0.473 g, 90% yield ).1H NMR (CDCl3) δ: 4.52 (broad single peak, 1H), 3.12 (quadruple peak, J = 6.2 Hz, 2H), 2.70 (triple peak, J = 6.8 Hz, 2H), 1.43-1.23 (multiple peaks, 19H). | | References | [1] Jing Liu, et al. Compounds and methods of treating cancers. French, WO2024183798A1. |
| | 1-BOC-1,7-DIAMINOHEPTANE Preparation Products And Raw materials |
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