N-Boc-1,2-phenylenediamine - CAS 146651-75-4
Catalog: |
BB010109 |
Product Name: |
N-Boc-1,2-phenylenediamine |
CAS: |
146651-75-4 |
Synonyms: |
tert-butyl N-(2-aminophenyl)carbamate |
IUPAC Name: | tert-butyl N-(2-aminophenyl)carbamate |
Description: | Protected 1,2-Phenyldiamine, an intermediate in the synthesis of histone deacetylase agents and antitumor agents. |
Molecular Weight: | 208.26 |
Molecular Formula: | C11H16N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=CC=C1N |
InChI: | InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h4-7H,12H2,1-3H3,(H,13,14) |
InChI Key: | KCZFBLNQOSFGSH-UHFFFAOYSA-N |
Boiling Point: | 280.6 °C at 760 mmHg |
Density: | 1.152 g/cm3 |
Appearance: | White solid |
MDL: | MFCD02169707 |
LogP: | 3.27000 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113461602-A | Aniline compounds with HDAC (HDAC) inhibitory activity, preparation method, composition and application | 20210707 |
CN-113461636-A | Benzothiazole-containing phenylalanine derivative and preparation method and application thereof | 20210604 |
CN-113244951-A | Mesoporous molecular sieve supported catalyst and application thereof | 20210224 |
WO-2021148811-A1 | Hdac degrader | 20200124 |
CN-111187222-A | Substituted pyrimidine derivative and preparation method and application thereof | 20200116 |
PMID | Publication Date | Title | Journal |
22622389 | 20120801 | Applications of ortho-phenylisonitrile and ortho-N-Boc aniline for the two-step preparation of novel bis-heterocyclic chemotypes | Molecular diversity |
16921367 | 20061001 | Histone deacetylase inhibitors reverse gene silencing in Friedreich's ataxia | Nature chemical biology |
16408993 | 20060120 | N-salicylideneanilines: tautomers for formation of hydrogen-bonded capsules, clefts, and chains | The Journal of organic chemistry |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.121177757 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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Amines and Anilines
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