3-(Boc-amino)-1,1,1-trifluoro-2-propanol - CAS 1219606-48-0
Catalog: |
BB005305 |
Product Name: |
3-(Boc-amino)-1,1,1-trifluoro-2-propanol |
CAS: |
1219606-48-0 |
Synonyms: |
N-(3,3,3-trifluoro-2-hydroxypropyl)carbamic acid tert-butyl ester; tert-butyl N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate |
IUPAC Name: | tert-butyl N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate |
Description: | 3-(Boc-amino)-1,1,1-trifluoro-2-propanol (CAS# 1219606-48-0) is a reagent in the preparation of some selected isoxazoline derivatives used in the controlling of invertebrate pests. |
Molecular Weight: | 229.20 |
Molecular Formula: | C8H14F3NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC(C(F)(F)F)O |
InChI: | InChI=1S/C8H14F3NO3/c1-7(2,3)15-6(14)12-4-5(13)8(9,10)11/h5,13H,4H2,1-3H3,(H,12,14) |
InChI Key: | NCSJLZBMIHPPLI-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.63870 |
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-2014242027-A1 | Substituted pyridine and pyrimidine derivatives and their use in treating viral infections | 20100218 |
US-9433621-B2 | Substituted pyridine and pyrimidine derivatives and their use in treating viral infections | 20100218 |
WO-2011103441-A1 | Substituted pyridine and pyrimidine derivatives and their use in treating viral infections | 20100218 |
JP-2010070514-A | Pyrazole derivatives and pharmaceutical use thereof | 20080919 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.09257779 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.09257779 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 58.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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