(1S)-(-)-Camphanic Acid - CAS 13429-83-9
Catalog: |
BB007907 |
Product Name: |
(1S)-(-)-Camphanic Acid |
CAS: |
13429-83-9 |
Synonyms: |
(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid; (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid |
Application: |
(1S)-(−)-Camphanic acid is a chiral reagent |
IUPAC Name: | (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid |
Description: | (1S)-(-)-Camphanic Acid (CAS# 13429-83-9) is a chiral reagent. |
Molecular Weight: | 198.22 |
Molecular Formula: | C10H14O4 |
Canonical SMILES: | CC1(C2(CCC1(OC2=O)C(=O)O)C)C |
InChI: | InChI=1S/C10H14O4/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H,11,12)/t9-,10+/m0/s1 |
InChI Key: | KPWKPGFLZGMMFX-VHSXEESVSA-N |
Boiling Point: | 355.5 °C / 760 mmHg |
Melting Point: | 198-202 °C |
Purity: | 98 % |
Density: | 1.296 g/cm3 |
Appearance: | Crystalline or crystalline powder |
Storage: | Room temperature. |
MDL: | MFCD00044948 |
LogP: | 1.19290 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2020090482-A | Improved synthesis of key intermediates for KRAS G12C inhibitor compounds | 20181116 |
US-2020216446-A1 | Synthesis of key intermediate of kras g12c inhibitor compound | 20181116 |
TW-202024035-A | Novel process for the preparation of (-)-cibenzoline succinate | 20180928 |
JP-2017528456-A | Synthesis of isoflavans and their intermediates | 20140910 |
US-10669250-B2 | Hypervalent iodine CF2CF2X reagents and their use | 20140807 |
PMID | Publication Date | Title | Journal |
17249645 | 20070215 | Vibrational absorption and circular dichroism studies of (-)-camphanic acid | The journal of physical chemistry. A |
15510300 | 20041107 | Syntheses, structures and antimicrobial activities of water-soluble silver(I)-oxygen bonding complexes with chiral and racemic camphanic acid (Hca) ligands | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 333 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.08920892 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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