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1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane manufacturers
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| | 1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane Basic information |
| Product Name: | 1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane | | Synonyms: | Thulium(Ill)1, 4, 7, 10-Tetraazacyclododecane-1, 4, 7, 10-tetra(methylenephosphonate;1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane;1,4,7,10-Tetraazacyclododecane-1,7-bis(t-butyl acetate);DO2A-t-Bu-ester(M-120);NSC 696842;1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid, bis(1,1-diMethylethyl) ester;Tert-butyl 2-[7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;(7-tert-butoxycarbonylmethyl-1,4,7,10-tetraaza-cyclododec-1-yl)-acetic acid tert-butyl ester | | CAS: | 162148-48-3 | | MF: | C20H40N4O4 | | MW: | 400.56 | | EINECS: | | | Product Categories: | | | Mol File: | 162148-48-3.mol |  |
| | 1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane Chemical Properties |
| Melting point | 90 °C | | Boiling point | 488.6±45.0 °C(Predicted) | | density | 0.998±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C | | solubility | soluble in Chloroform, Dichloromethane, Diethyl Ether | | form | Solid | | pka | 9.83±0.20(Predicted) | | color | Pale-Yellow | | Water Solubility | Soluble in acetone, acetonitrile, ethyl Acetate, chloroforme, cyclohexane. Insoluble in water. | | Sensitive | Hygroscopic | | InChI | InChI=1S/C20H40N4O4/c1-19(2,3)27-17(25)15-23-11-7-21-9-13-24(14-10-22-8-12-23)16-18(26)28-20(4,5)6/h21-22H,7-16H2,1-6H3 | | InChIKey | OERWIIJOLSXGAQ-UHFFFAOYSA-N | | SMILES | N1(CC(OC(C)(C)C)=O)CCNCCN(CC(OC(C)(C)C)=O)CCNCC1 |
| | 1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane Usage And Synthesis |
| Chemical Properties | Pale-Yellow Solid | | Uses | Intermediate in the preparation of chelating agents. | | Uses | 1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane (DO2A-t-Bu ester) is commonly used intermediates when synthesizing metal complexes for biomedical-related studies.
| | Uses |
The reported synthesis of 1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane(DO2A-t-Bu ester), is carried out in three steps as depicted in Scheme 1. First, two amines of commercially available cyclen are protected in the trans positions with a slow addition of CBZCl at 0 °C and stirring overnight. Second, t-Bu bromoacetate is reacted with CBZ-protected cyclen, 3, at 60 °C in the presence of diisopropylethylamine (DIEA) to produce macrocycle 4 in 20 h. Finally, hydrogenation for 1 d removes the CBZ groups yielding the desired product.
| | References |
[1] LAUREN E. HOPPER Matthew J A. Rapid synthesis of 1,7-bis(t-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane (DO2A-t-Bu ester)[J]. Tetrahedron Letters, 2014, 55 40: Pages 5560-5561. DOI:10.1016/j.tetlet.2014.08.026.
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| | 1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane Preparation Products And Raw materials |
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