| Identification | Back 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 Properties | Back Directory | [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 |
| Hazard Information | Back 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]
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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| Company Name: |
Carbosynth
|
| Tel: |
+86 512 6260 5585 |
| Website: |
www.carbosynth.com |
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