trans-2-Phenylcyclopropane-1-carboxylic acid - CAS 939-90-2
Catalog: |
BB041156 |
Product Name: |
trans-2-Phenylcyclopropane-1-carboxylic acid |
CAS: |
939-90-2 |
Synonyms: |
(1R,2R)-2-phenylcyclopropane-1-carboxylic acid |
IUPAC Name: | (1R,2R)-2-phenylcyclopropane-1-carboxylic acid |
Description: | Intermediate in the production of 2C receptor agonists. |
Molecular Weight: | 162.19 |
Molecular Formula: | C10H10O2 |
Canonical SMILES: | C1C(C1C(=O)O)C2=CC=CC=C2 |
InChI: | InChI=1S/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)/t8-,9+/m0/s1 |
InChI Key: | AHDDRJBFJBDEPW-DTWKUNHWSA-N |
Boiling Point: | 317.1 °C at 760 mmHg |
Purity: | > 98.0 % (T) |
Density: | 1.25 g/cm3 |
Appearance: | Off-white solid |
MDL: | MFCD00001292 |
LogP: | 1.87470 |
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 |
US-2021115038-A1 | Malic enzyme inhibitors | 20191017 |
WO-2021074898-A1 | Malic enzyme inhibitors | 20191017 |
WO-2020264176-A1 | Urea derivatives as cb1 allosteric modulators | 20190628 |
EP-3617181-A1 | Synthesis of trans-2-phenylcyclopropylamine or a salt or solvate thereof | 20180830 |
US-2019345135-A1 | Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors | 20180406 |
PMID | Publication Date | Title | Journal |
16826303 | 20060721 | Efficient syntheses of four stable-isotope labeled (1R)-menthyl (1S,2S)-(+)-2-phenylcyclopropanecarboxylates | Organic & biomolecular chemistry |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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