4-(4-Boc-piperazin-1-yl)benzo[b]thein-2-carboxylate - CAS 1677681-02-5
Catalog: |
BB055240 |
Product Name: |
4-(4-Boc-piperazin-1-yl)benzo[b]thein-2-carboxylate |
CAS: |
1677681-02-5 |
Synonyms: |
4-(4-(tert-Butoxycarbonyl)piperazin-1-yl)benzo[b]thiophene-2-carboxylic acid; 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-benzothiophene-2-carboxylic acid; 4-(4-(tert-Butoxycarbonyl)piperazin-1-yl)benzo[b]thiophene-2-carboxylicacid |
IUPAC Name: | 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-benzothiophene-2-carboxylic acid |
Molecular Weight: | 362.44 |
Molecular Formula: | C18H22N2O4S |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C=C(SC3=CC=C2)C(=O)O |
InChI: | InChI=1S/C18H22N2O4S/c1-18(2,3)24-17(23)20-9-7-19(8-10-20)13-5-4-6-14-12(13)11-15(25-14)16(21)22/h4-6,11H,7-10H2,1-3H3,(H,21,22) |
InChI Key: | CBMTWQVOOWMNQX-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2016124144-A1 | Brexpiprazole analog preparation method | 20150205 |
EP-3115361-A1 | Heterocyclic compounds, and preparation method and use thereof | 20140307 |
EP-3115361-B1 | Heterocyclic compounds, and preparation method and use thereof | 20140307 |
US-10174011-B2 | Heterocyclic compounds, process for preparation of the same and use thereof | 20140307 |
US-2017158680-A1 | Heterocyclic compounds, process for preparation of the same and use thereof | 20140307 |
WO-2015131856-A1 | Heterocyclic compounds, and preparation method and use thereof | 20140307 |
CN-104557896-A | Brexpiprezole, and preparation methods of key intermediate and salt thereof | 20131018 |
EP-3059237-A1 | Methods for preparing brexpiprazole, key intermediates thereof and salts thereof | 20131018 |
JP-2016535081-A | Process for producing brexpiprazole, important intermediates and salts thereof | 20131018 |
JP-6188960-B2 | Process for producing brexpiprazole, important intermediates and salts thereof | 20131018 |
Complexity: | 514 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 362.13002836 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 362.13002836 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 98.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS