ChemicalBook--->CAS DataBase List--->184951-87-9

184951-87-9

184951-87-9 Structure

184951-87-9 Structure
IdentificationBack Directory
[Name]

BOC-THIONOPHE-1-(6-NITRO)BENZOTRIAZOLIDE
[CAS]

184951-87-9
[Synonyms]

BOC-THIONOPHE-1-(6-NITRO)BENZOTRIAZOLIDE
(S)-2-(Boc-amino)-3-phenyl propanethioic O-acid-1-
(S)-2-(BOC-AMINO)-PRPPNETHIOIC O-ACID-1-(6-NITRO)BENZOTRIAZOLIDE
BOC-L-2-AMINO-3-PHENYLPROPANETHIOIC ACID-1-(6-NITRO)BENZOTRIAZOLIDE
(S)-2-(BOC-AMINO)-3-PHENYL-PROPANETHIOIC O-ACID-1-(6-NITRO)BENZOTRIAZOLIDE
(S)-2-[(t-Butoxycarbonyl)amino]-1-(6-nitrobenzotriazol-1-yl)-3-phenylpropane-1-thione
N-ALPHA-T-BUTOXYCARBONYL-L-2-AMINO-3-PHENYLPROPANETHIOIC ACID-1-(6-NITRO) BENZOTRIAZOLIDE
tert-butyl N-[(2S)-1-(6-nitrobenzotriazol-1-yl)-3-phenyl-1-sulfanylidenepropan-2-yl]carbamate
[(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)
[Molecular Formula]

C20H21N5O4S
[MDL Number]

MFCD01318725
[MOL File]

184951-87-9.mol
[Molecular Weight]

427.48
Chemical PropertiesBack Directory
[density ]

1.36
[storage temp. ]

-15°C
[pka]

10.06±0.46(Predicted)
Hazard InformationBack Directory
[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]

1.jpg
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.
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