tert-Butyl 3-hydroxypropionate - CAS 59854-11-4
Catalog: |
BB030530 |
Product Name: |
tert-Butyl 3-hydroxypropionate |
CAS: |
59854-11-4 |
Synonyms: |
tert-butyl 3-hydroxypropanoate |
IUPAC Name: | tert-butyl 3-hydroxypropanoate |
Description: | tert-Butyl 3-hydroxypropionate (CAS# 59854-11-4) is used as a reagent in the synthesis of 5-aminolevulinic acid derivatives which in turn can be used as photosensitizing agents in photodynamic treatment and diagnosis. tert-Butyl 3-Hydroxypropanoate is also used as a reagent in the preparation of pyrrolidinylcarboxamide derivatives for use as antitumor agents. |
Molecular Weight: | 146.18 |
Molecular Formula: | C7H14O3 |
Canonical SMILES: | CC(C)(C)OC(=O)CCO |
InChI: | InChI=1S/C7H14O3/c1-7(2,3)10-6(9)4-5-8/h8H,4-5H2,1-3H3 |
InChI Key: | NSXCURRVJMPAPA-UHFFFAOYSA-N |
Boiling Point: | 215.7 °C at 760 mmHg |
Density: | 0.990 g/cm3 |
Appearance: | Colorless liquid |
LogP: | 0.71050 |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2020203902-A | Alkoxyphenyl derivatives, nucleoside protectors and nucleotide protectors, oligonucleotide production methods, and substituent removal methods | 20200818 |
CN-110498915-B | Simple and controllable synthesis method of alpha-carboxyl-omega-hydroxyl polyether | 20190716 |
CN-110105169-B | Method for preparing 1, 3-propylene glycol by coupling ethylene oxide with synthesis gas | 20190613 |
US-2020392058-A1 | Method for preparing 1,3-propanediol by coupling ethylene oxide with syngas | 20190613 |
WO-2020236817-A2 | Mcl-1 inhibitor antibody-drug conjugates and methods of use | 20190520 |
Complexity: | 113 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.094294304 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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