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| | BOC-THIONOPHE-1-(6-NITRO)BENZOTRIAZOLIDE Basic information |
| Product Name: | BOC-THIONOPHE-1-(6-NITRO)BENZOTRIAZOLIDE | | Synonyms: | (S)-2-(BOC-AMINO)-3-PHENYL-PROPANETHIOIC O-ACID-1-(6-NITRO)BENZOTRIAZOLIDE;(S)-2-(BOC-AMINO)-PRPPNETHIOIC O-ACID-1-(6-NITRO)BENZOTRIAZOLIDE;N-ALPHA-T-BUTOXYCARBONYL-L-2-AMINO-3-PHENYLPROPANETHIOIC ACID-1-(6-NITRO) BENZOTRIAZOLIDE;(S)-2-(Boc-amino)-3-phenyl propanethioic O-acid-1-;BOC-THIONOPHE-1-(6-NITRO)BENZOTRIAZOLIDE;BOC-L-2-AMINO-3-PHENYLPROPANETHIOIC ACID-1-(6-NITRO)BENZOTRIAZOLIDE;[(1S)-2-(6-Nitro-1H-benzotriazol-1-yl)-1-(phenylmethyl)-2-thioxoethyl]carbamic acid tert-butyl ester;Carbamic acid, [(1S)-2-(6-nitro-1H-benzotriazol-1-yl)-1-(phenylmethyl)-2-thioxoethyl]-, 1,1-dimethylethyl ester (9CI) | | CAS: | 184951-87-9 | | MF: | C20H21N5O4S | | MW: | 427.48 | | EINECS: | | | Product Categories: | | | Mol File: | 184951-87-9.mol |  |
| | BOC-THIONOPHE-1-(6-NITRO)BENZOTRIAZOLIDE Chemical Properties |
| density | 1.36 | | storage temp. | -15°C | | pka | 10.06±0.46(Predicted) | | InChI | InChI=1S/C20H21N5O4S/c1-20(2,3)29-19(26)21-16(11-13-7-5-4-6-8-13)18(30)24-17-12-14(25(27)28)9-10-15(17)22-23-24/h4-10,12,16H,11H2,1-3H3,(H,21,26)/t16-/m0/s1 | | InChIKey | VETHVWLHXKQIRS-INIZCTEOSA-N | | SMILES | C(OC(C)(C)C)(=O)N[C@@H](CC1=CC=CC=C1)C(N1C2=CC([N+]([O-])=O)=CC=C2N=N1)=S |
| | BOC-THIONOPHE-1-(6-NITRO)BENZOTRIAZOLIDE Usage And Synthesis |
| Uses | BOC-THIONOPHE-1-(6-NITRO)BENZOTRIAZOLIDE can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process. | | Synthesis | 
To a solution of thioanilide 7 (2 mmol) dissolved
by gentle warming at 40 °C and then cooled to 0 °C in glacial
acetic acid (diluted with 5% water, 15 mL) was added NaNO2
(0.21 g, 3 mmol) in portions over 5 min with stirring. After 30
min, ice water (～100 mL) was added, and the precipitated
product was filtered and washed with water. The orange solid
was dried in vacuo at rt overnight and then at 50 °C for 4 h to
afford benzotriazoles 1-(N-BOC-L-thionophenylalaninyl)-6-nitrobenzotriazole (9b): yield 81%. as amorphous solids of
sufficient purity for use in the next step. |
| | BOC-THIONOPHE-1-(6-NITRO)BENZOTRIAZOLIDE Preparation Products And Raw materials |
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