2-(2-Methoxyphenyl)-4,4-dimethyl-2-oxazoline - CAS 57598-33-1
Catalog: |
BB029756 |
Product Name: |
2-(2-Methoxyphenyl)-4,4-dimethyl-2-oxazoline |
CAS: |
57598-33-1 |
Synonyms: |
2-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole |
IUPAC Name: | 2-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole |
Description: | 2-(2-Methoxyphenyl)-4,4-dimethyl-2-oxazoline (CAS# 57598-33-1) is an intermediate in the synthesis of Candesartan-d4, the labeled analogue of Candesartan (C175575), an angiotensin II type-1 receptor antagonist. Used in treatment of congestive heart failure. Antihypertensive. |
Molecular Weight: | 205.25 |
Molecular Formula: | C12H15NO2 |
Canonical SMILES: | CC1(COC(=N1)C2=CC=CC=C2OC)C |
InChI: | InChI=1S/C12H15NO2/c1-12(2)8-15-11(13-12)9-6-4-5-7-10(9)14-3/h4-7H,8H2,1-3H3 |
InChI Key: | ZGDUNGBWVZKWGE-UHFFFAOYSA-N |
Boiling Point: | 311.5 ℃ at 760 mmHg |
Melting Point: | 71-74 ℃ |
Purity: | 95 % |
Density: | 1.08 g/cm3 |
Appearance: | White to cream/pink solid |
MDL: | MFCD00151837 |
LogP: | 1.68620 |
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 |
WO-2021015727-A1 | Fabric coating compositions | 20190722 |
TW-202000772-A | Polyolefin formulation with poly(2-alkyl-2-oxazoline) | 20180629 |
CN-112166151-A | Polyolefin formulations with poly (2-alkyl-2-oxazoline) | 20180629 |
KR-20210027361-A | Polyolefin formulations with poly(2-alkyl-2-oxazoline) | 20180629 |
US-2021221983-A1 | Polyolefin formulation with poly(2-alkyl-2-oxazoline) | 20180629 |
PMID | Publication Date | Title | Journal |
21200938 | 20071206 | 2-(2-Methoxy-phen-yl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole | Acta crystallographica. Section E, Structure reports online |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.110278721 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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