Methyl 4-Fluorosalicylate - CAS 392-04-1
Catalog: |
BB023881 |
Product Name: |
Methyl 4-Fluorosalicylate |
CAS: |
392-04-1 |
Synonyms: |
4-fluoro-2-hydroxybenzoic acid methyl ester; methyl 4-fluoro-2-hydroxybenzoate |
IUPAC Name: | methyl 4-fluoro-2-hydroxybenzoate |
Description: | Methyl 4-Fluorosalicylate (CAS# 392-04-1) is a useful synthetic intermediate. It was used to prepare benzo[d]isoxazol-3-ol as D-amino acid oxidase inhibitors. It is also used in the discovery of hydroxy-indazole-carboxamides as inhibitors of Hsp90. |
Molecular Weight: | 170.14 |
Molecular Formula: | C8H7FO3 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1)F)O |
InChI: | InChI=1S/C8H7FO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,1H3 |
InChI Key: | WPWUDDDJTIZBGL-UHFFFAOYSA-N |
Boiling Point: | 224.7 ℃ at 760 mmHg |
Density: | 1.309 g/cm3 |
MDL: | MFCD02093965 |
LogP: | 1.31790 |
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 |
CN-112876482-A | Polysubstituted heterocyclic derivative, preparation method and medical application thereof | 20201231 |
WO-2021119753-A1 | Compounds | 20191218 |
US-2021114989-A1 | Piperazine substituted azapine derivatives and uses thereof | 20191021 |
WO-2021080997-A1 | 3-(4-(11h-dibenzo[b,e][1,4]azepin-6-yl)piperazin-1-yl)- and 3-(4-(dibenzo[b,f][1,4]oxazepin/thiazepin/diazepin-11-yl)piperazin-1-yl)-propano ic acid derivatives as h1 and 5-ht2a-receptor modulators for the treatment of sleep disorders | 20191021 |
US-11046651-B2 | Piperazine substituted azapine derivatives and uses thereof | 20191021 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.03792224 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.03792224 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS