(R)-2-[Bis[3,5-bis(trifluoromethyl)phenyl][(tert-butyldimethylsilyl)oxy]methyl]pyrrolidine - CAS 1146629-74-4
Catalog: |
BB003411 |
Product Name: |
(R)-2-[Bis[3,5-bis(trifluoromethyl)phenyl][(tert-butyldimethylsilyl)oxy]methyl]pyrrolidine |
CAS: |
1146629-74-4 |
Synonyms: |
[bis[3,5-bis(trifluoromethyl)phenyl]-[(2R)-2-pyrrolidinyl]methoxy]-tert-butyl-dimethylsilane; [bis[3,5-bis(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methoxy]-tert-butyl-dimethylsilane |
IUPAC Name: | [bis[3,5-bis(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methoxy]-tert-butyl-dimethylsilane |
Description: | (R)-2-[Bis[3,5-bis(trifluoromethyl)phenyl][(tert-butyldimethylsilyl)oxy]methyl]pyrrolidine (CAS# 1146629-74-4) is a useful research chemical compound. |
Molecular Weight: | 639.59 |
Molecular Formula: | C27H29F12NOSi |
Canonical SMILES: | CC(C)(C)[Si](C)(C)OC(C1CCCN1)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F |
InChI: | InChI=1S/C27H29F12NOSi/c1-22(2,3)42(4,5)41-23(21-7-6-8-40-21,15-9-17(24(28,29)30)13-18(10-15)25(31,32)33)16-11-19(26(34,35)36)14-20(12-16)27(37,38)39/h9-14,21,40H,6-8H2,1-5H3/t21-/m1/s1 |
InChI Key: | ZLULOCHUEDLXQY-OAQYLSRUSA-N |
LogP: | 10.10800 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2010204772-A1 | Processes for preparing JAK inhibitors and related intermediate compounds | 20090115 |
AU-2010204772-B2 | Processes for preparing JAK inhibitors and related intermediate compounds | 20090115 |
CA-2749483-A1 | Processes for preparing jak inhibitors and related intermediate compounds | 20090115 |
EA-020643-B1 | METHODS OF OBTAINING JAK KINAZ INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS | 20090115 |
EA-034207-B1 | METHODS FOR PRODUCING JAK KINASE INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS | 20090115 |
Complexity: | 827 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 639.182679 |
Formal Charge: | 0 |
Heavy Atom Count: | 42 |
Hydrogen Bond Acceptor Count: | 14 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 639.182679 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 21.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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