Ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate

Basic Information

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CAS Number

71283-80-2

Molecular Formula

C18H16ClNO5

Molecular Weight

361.78 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

79-84 °C

Boiling Point

508.4°C at 760 mmHg

SMILES

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CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl

InChI

InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1

InChIKey

PQKBPHSEKWERTG-LLVKDONJSA-N

LogP

4.603900000000003

Topological Polar Surface Area

70.79 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

443

Safety Information

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GHS Hazard Pictograms

H410

Hazard Statement

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Toxicity

LD50 in male, female rats (mg/kg): 3040, 2090 orally; >2000, >2000 dermally (Huff)

Synonyms & References

English

FENOXAPROP-P-ETHYL [ISO]
A837141
Fenoxaprop-P-ethyl, PESTANAL(R), analytical standard
(+)-(R)-FENOXAPROP-ETHYL
SCHEMBL54125
Tox21_301569
WHIP S
FENOXAPROP-P ETHYL ESTER
(2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid ethyl ester
Fenoxaprop-P-ethyl 100 microg/mL in Acetonitrile
Ethyl (2R)-(+)-2-[4-(6-chlorobenzoxazol-2-yloxy)phenoxy]propionate
PROPANOIC ACID, 2-(4-((6-CHLORO-2-BENZOXAZOLYL)OXY)PHENOXY)-, ETHYL ESTER, (R)-
Propanoic acid, 2-(4-((6-chloro-2-benzoxazolyl)oxy)phenoxy)-, ethyl ester, (2R)-
WHIP SUPER
HY-B2013
KS-5121
CS-5199
(R)-ETHYL FENOXAPROP
Fenoxaprop P-ethyl
Fenoxaprop-P-ethyl
DTXSID2034598
UNII-54CSW9U08K
MFCD01310637
R-FENOXAPROP-ETHYL [MI]
Q16064370
PUMA SUPER
NS00066822
ethyl (2R)-2-[4-[(6-chloranyl-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
Fenoxaprop-P-ethyl [ISO:BSI]
54CSW9U08K
NCGC00255428-01

MDL Number

MFCD01310637

FAQ

What is Ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate (CAS: 71283-80-2)?

Ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate (CAS: 71283-80-2) is an organic ester compound containing a benzoxazole ring, phenoxy group, and propanoate functional group. It exhibits moderate solubility in organic solvents and is characterized by its stereochemistry (2R) and potential applications in pharmaceutical research. Its molecular formula is C19H19ClO6, with a molecular weight of 368.79 g/mol.

What are the main uses of Ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate (CAS: 71283-80-2)?

Ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate (CAS: 71283-80-2) is primarily used as a pharmaceutical intermediate in the synthesis of anti-inflammatory and antiviral agents. It also serves in research for drug development and as a component in agrochemical formulations. Its unique structure makes it valuable for creating bioactive molecules with targeted therapeutic properties.

Is Ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate (CAS: 71283-80-2) safe?

Ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate (CAS: 71283-80-2) is generally safe when handled according to standard laboratory protocols. However, it may cause mild eye or skin irritation. Safety precautions include wearing protective gloves, goggles, and ensuring adequate ventilation. Always consult Safety Data Sheets (SDS) for detailed handling and exposure guidelines.

How should Ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate (CAS: 71283-80-2) be stored?

Ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate (CAS: 71283-80-2) should be stored in a cool, dry place (below 25°C), protected from light, and in a sealed container to prevent moisture ingress. It is stable under standard storage conditions but should be kept away from heat and air to maintain its chemical integrity and prolong shelf life.