O-(tert-Butyl)-N,N'-diisopropylisourea - CAS 71432-55-8
Catalog: |
BB034377 |
Product Name: |
O-(tert-Butyl)-N,N'-diisopropylisourea |
CAS: |
71432-55-8 |
Synonyms: |
N,N'-di(propan-2-yl)carbamimidic acid tert-butyl ester; tert-butyl N,N'-di(propan-2-yl)carbamimidate |
IUPAC Name: | tert-butyl N,N'-di(propan-2-yl)carbamimidate |
Description: | O-(tert-Butyl)-N,N'-diisopropylisourea (CAS# 71432-55-8) is a useful synthetic intermediate in the synthesis of 5-Oxo Atorvastatin tert-Butyl Ester (O847160) which is a Boc-protected derivative of Atorvastatin (A791750, Ca Salt). 2-tert-Butyl-1,3-diisopropylisourea is also used as a reagent in the total synthesis of Citrafungin A which is an antifungal natural product. |
Molecular Weight: | 200.32 |
Molecular Formula: | C11H24N2O |
Canonical SMILES: | CC(C)NC(=NC(C)C)OC(C)(C)C |
InChI: | InChI=1S/C11H24N2O/c1-8(2)12-10(13-9(3)4)14-11(5,6)7/h8-9H,1-7H3,(H,12,13) |
InChI Key: | FESDUDPSRMWIDL-UHFFFAOYSA-N |
Boiling Point: | 299.396 °C at 760 mmHg |
Density: | 0.891 g/cm3 |
MDL: | MFCD06657672 |
LogP: | 2.95480 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.188863393 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.188863393 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 33.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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