(R)-1-Boc-3-pyrrolidinecarboxylic acid - CAS 72925-16-7
Catalog: |
BB034727 |
Product Name: |
(R)-1-Boc-3-pyrrolidinecarboxylic acid |
CAS: |
72925-16-7 |
Synonyms: |
(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
IUPAC Name: | (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
Description: | (R)-1-Boc-3-pyrrolidinecarboxylic acid (CAS# 72925-16-7) is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs. |
Molecular Weight: | 215.25 |
Molecular Formula: | C10H17NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(C1)C(=O)O |
InChI: | InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-4-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1 |
InChI Key: | HRMRQBJUFWFQLX-SSDOTTSWSA-N |
Boiling Point: | 337.2 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.201 g/cm3 |
MDL: | MFCD03094727 |
LogP: | 1.26590 |
GHS Hazard Statement: | H400 (97.56%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
Precautionary Statement: | P273, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.11575802 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.11575802 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Pyrrolidines
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