(S)-1-(Boc-amino)-2,3-dihydro-1H-indene-4-carbonitrile - CAS 1306763-31-4
Catalog: |
BB007152 |
Product Name: |
(S)-1-(Boc-amino)-2,3-dihydro-1H-indene-4-carbonitrile |
CAS: |
1306763-31-4 |
Synonyms: |
N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamic acid tert-butyl ester; tert-butyl N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate |
IUPAC Name: | tert-butyl N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate |
Description: | (S)-1-(Boc-amino)-2,3-dihydro-1H-indene-4-carbonitrile (CAS# 1306763-31-4 ) is a useful research chemical. |
Molecular Weight: | 258.32 |
Molecular Formula: | C15H18N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CCC2=C(C=CC=C12)C#N |
InChI: | InChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-13-8-7-11-10(9-16)5-4-6-12(11)13/h4-6,13H,7-8H2,1-3H3,(H,17,18)/t13-/m0/s1 |
InChI Key: | LBHMMDUJKBJVQI-ZDUSSCGKSA-N |
LogP: | 3.46118 |
GHS Hazard Statement: | H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020053334-A1 | A process for the preparation of ozanimod and its intermediate (s)-1-amino-2,3-dihydro-1h-indene-4-carbonitrile | 20180912 |
CN-112771028-A | Process for the preparation of azamod and its intermediate (S) -1-amino-2, 3-dihydro-1H-indenyl-4-carbonitrile | 20180912 |
EP-3849965-A1 | A process for the preparation of ozanimod and its intermediate (s)-1-amino-2,3-dihydro-1h-indene-4-carbonitrile | 20180912 |
WO-2019058290-A1 | IMPROVED PROCESS FOR THE PREPARATION OF AZANIMOD A-AMINO COMPOUND | 20170920 |
CA-3038106-A1 | Compounds and methods for treating lupus | 20160929 |
Complexity: | 391 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.136827821 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 62.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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