1-Boc-4-phenylpyrrolidine-3-carboxylic Acid - CAS 939757-89-8
Catalog: |
BB041144 |
Product Name: |
1-Boc-4-phenylpyrrolidine-3-carboxylic Acid |
CAS: |
939757-89-8 |
Synonyms: |
1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-phenyl-3-pyrrolidinecarboxylic acid; 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid |
IUPAC Name: | 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid |
Description: | 1-Boc-4-phenylpyrrolidine-3-carboxylic Acid (CAS# 939757-89-8) is a useful research chemical. |
Molecular Weight: | 291.34 |
Molecular Formula: | C16H21NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC=CC=C2 |
InChI: | InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-9-12(13(10-17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19) |
InChI Key: | KEWYECRQALNJJM-UHFFFAOYSA-N |
Boiling Point: | 441.5 °C at 760 mmHg |
Density: | 1.196 g/cm3 |
LogP: | 2.65960 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020055860-A1 | Substituted pyrazolo[1,5-a]pyrazine compounds as ret kinase inhibitors | 20170118 |
WO-2018136661-A1 | SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS | 20170118 |
US-2020071298-A1 | Compounds as modulators of ror gamma | 20161213 |
EP-3555065-B1 | Compounds as modulators of ror gamma | 20161213 |
US-10954215-B2 | Compounds as modulators of ROR gamma | 20161213 |
Complexity: | 396 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.14705815 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.14705815 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS