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2-[(Isopropylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy}propanoate | CAS No. 111479-05-1

2-[(Isopropylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy}propanoate

Basic Information

Chemical_Structure_Of

CAS Number

111479-05-1

Molecular Formula

C22H22ClN3O5

Molecular Weight

443.89 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

62-64°

Boiling Point

582.7°Cat760mmHg

Refractive Index

1.6500 (estimate)

Specific Rotation

D20 +29.7° (c = 0.93% in chloroform)

SMILES

CC(C(=O)OCCON=C(C)C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl

InChI

InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1

InChIKey

FROBCXTULYFHEJ-OAHLLOKOSA-N

LogP

4.798400000000004

Topological Polar Surface Area

92.13000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 8

Complexity

596

Safety Information

View Safety Information

GHS Hazard Pictograms

H332

H332

Hazard Statement

H332 Harmful if inhaled
Acute toxicity, inhalation

Toxicity

LD50 in rats (mg/kg): >5000 orally; >2000 dermally (Bocion)

Synonyms & References

English

2-isopropylideneaminooxyethyl (R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate
111479-05-1
Propanoic acid, 2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)-, 2-(((1-methylethylidene)amino)oxy)ethyl ester, (2R)-
2-(isopropylideneamino)oxyethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
AMY12536
PROPAQUIZAFOP [MI]
2-[[(1-methylethylidene)amino]oxy]ethyl (2R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoate
AKOS025401687
Propanoic acid, 2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)-, 2-(((1-methylethylidene)amino)oxy)ethyl ester, (R)-
Propaquizafop [ISO]
CS-0064604
2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate
CHEMBL2251597
Ro 17-3664
2-Isopropylideneamino-oxyethyl (R)-2-(4-(6-chloroquinoxalin-2-yloxy)phenoxy)propionate
PRILAN
CHEBI:82034
FROBCXTULYFHEJ-OAHLLOKOSA-N
Propaquizafop, PESTANAL(R), analytical standard
Q27155700
(R)-2-((propan-2-ylideneamino)oxy)ethyl 2-(4-((6-chloroquinoxalin-2-yl)oxy)phenoxy)propanoate
HY-117262
2-((propan-2-ylideneamino)oxy)ethyl (R)-2-(4-((6-chloroquinoxalin-2-yl)oxy)phenoxy)propanoate
DTXSID8057934
SCHEMBL43925
Propaquizafop
Shogun
2-(propan-2-ylideneamino)oxyethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
UNII-24I4RS543N
RO-17-3664
24I4RS543N

MDL Number

MFCD01697482

Customs Code

29339900

Related Compounds

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide structure

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

CAS Number: 1013920-15-4

Molecular Formula: C23H26FN5O3

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

CAS Number: 1016505-59-1

Molecular Formula: C8H7N3O2

(10,10,10-~2~H_3_)Decanoic acid structure

(10,10,10-~2~H_3_)Decanoic acid

CAS Number: 102611-15-4

Molecular Formula: C10H17D3O2

Methyl 8-methylquinoline-7-carboxylate structure

Methyl 8-methylquinoline-7-carboxylate

CAS Number: 1030846-94-6

Molecular Formula: C12H11NO2

2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid structure

2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid

CAS Number: 1048919-15-8

Molecular Formula: C12H14FNO4

4,6-Nonadecadiyn-1-ol structure

4,6-Nonadecadiyn-1-ol

CAS Number: 1071447-01-2

Molecular Formula: C19H32O

1,5,8-Trihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one structure

1,5,8-Trihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one

CAS Number: 110187-11-6

Molecular Formula: C19H18O6

Azithromycin EP Impurity J structure

Azithromycin EP Impurity J

CAS Number: 117693-41-1

Molecular Formula: C30H58N2O9

9-Benzyl-2,9-diazaspiro[5.5]undecane dihydrochloride structure

9-Benzyl-2,9-diazaspiro[5.5]undecane dihydrochloride

CAS Number: 1198286-24-6

Molecular Formula: C16H26Cl2N2

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Supplier Information

Shanghai Titan Shareholding Technology Co., Ltd.

CAS Number: 111479-05-1

ShangHaiZhenZhun Biotechnology Co Ltd

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Hubei Rike Chemical Co., Ltd.

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ShangHaiYiJi Industrial Co Ltd

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Hubei Nona Technology Co., Ltd.

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Shanghai Yuyeh Biotechnology Co., Ltd.

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East Asia Chemical Co., Ltd. Shandong

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Hubei Shixing Chemical Co., Ltd.

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Shanghai Hansi Chemical Co., Ltd.

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Beijing Bailingwei Technology Co., Ltd.

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LaiBo （ ShangHai ） ShengHua Technology Co Ltd

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