3-Methoxyphenylacetyl chloride - CAS 6834-42-0
Catalog: |
BB033535 |
Product Name: |
3-Methoxyphenylacetyl chloride |
CAS: |
6834-42-0 |
Synonyms: |
2-(3-methoxyphenyl)acetyl chloride |
IUPAC Name: | 2-(3-methoxyphenyl)acetyl chloride |
Description: | 3-Methoxyphenylacetyl chloride (CAS# 6834-42-0) is useful in the preparation of benzothiadiazine derivatives for use as KAT inhibitors. |
Molecular Weight: | 184.62 |
Molecular Formula: | C9H9ClO2 |
Canonical SMILES: | COC1=CC=CC(=C1)CC(=O)Cl |
InChI: | InChI=1S/C9H9ClO2/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3 |
InChI Key: | UZUYKYNVSJTWEH-UHFFFAOYSA-N |
Boiling Point: | 120 °C2 mmHg (lit.) |
Purity: | 95 % |
Density: | 1.184 g/cm3 |
MDL: | MFCD00012244 |
LogP: | 2.00310 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P337+P313, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113233964-A | Synthesis method of 5-methoxy-2-tetralone | 20210514 |
CN-112390751-A | Toll-like receptor-7 small molecule inhibitor and preparation method thereof | 20201105 |
TW-202041507-A | Amido bridged heterocyclic compound, and composition and application thereof | 20190125 |
EP-3901147-A1 | Acylamino bridged heterocyclic compound, and composition and application thereof | 20190125 |
KR-20200083843-A | 4-(2-fluorophenyl)-3-(3-methoxybenzyl)-1h-1,2,4-triazol-5(4h)-0ne and its use as a therapeutic agent for metabolic disease and degenerative brain disease | 20181231 |
PMID | Publication Date | Title | Journal |
22242164 | 20120101 | Hydroxybenzothiazoles as new nonsteroidal inhibitors of 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1) | PloS one |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.0291072 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.0291072 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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