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5-Isoxazolecarboxylic acid, 3-phenyl-, methyl ester is a chemical compound with the molecular formula C11H9NO3. It is a derivative of isoxazole, a heterocyclic compound consisting of a five-membered ring with one oxygen and two nitrogen atoms. The 3-phenyl group attached to the isoxazole ring introduces a phenyl ring at the third position, while the methyl ester functional group is present at the 5-position, replacing the carboxylic acid group with a methyl ester. 5-Isoxazolecarboxylic acid, 3-phenyl-, methyl ester is known for its potential applications in the synthesis of pharmaceuticals and agrochemicals, as well as its use as an intermediate in the preparation of various biologically active molecules. Its chemical structure and properties make it a versatile building block in organic synthesis, particularly in the development of compounds with potential therapeutic or pesticidal properties.

1081-30-7

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1081-30-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1081-30-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,0,8 and 1 respectively; the second part has 2 digits, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 1081-30:
(6*1)+(5*0)+(4*8)+(3*1)+(2*3)+(1*0)=47
47 % 10 = 7
So 1081-30-7 is a valid CAS Registry Number.

1081-30-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-phenyl-isoxazole-5-carboxylic acid methyl ester

1.2 Other means of identification

Product number -
Other names .3-Phenyl-isoxazol-5-carbonsaeure-methylester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1081-30-7 SDS

1081-30-7Relevant academic research and scientific papers

Isoxazoles from 1,1-disubstituted bromoalkenes

Dadiboyena, Sureshbabu,Xu, Jianping,Hamme II, Ashton T.

, p. 1295 - 1298 (2007)

The regioselective synthesis of 3,5-disubstituted isoxazoles was achieved through the 1,3-dipolar cycloaddition of nitrile oxides with 1,1-disubstituted bromoalkenes. The substituted bromoalkenes function as alkyne synthons which were used to construct 5,

Hypervalent iodine mediated synthesis of di- and tri-substituted isoxazoles via [3+2] cycloaddition of nitrile oxides

Singhal, Ankur,Parumala, Santosh Kumar Reddy,Sharma, Arun,Peddinti, Rama Krishna

, p. 719 - 722 (2016)

An efficient and rapid protocol for the synthesis of 3,4-disubstituted and 3,4,5-trisubstituted isoxazoles under catalyst-free conditions is described. This protocol involves pre-oxidation of aldoxime into nitrile oxide using diacetoxyiodobenzene. The in

Methyl 3-Substituted-isoxazole-5- Carboxylates syntheses on solid supports via wang resin-bound 2,3-dibromopropionate

Sheng, Shou-Ri,He, Ai-Ying,Wei, Mei-Hong,Zhu, Ai-Li,Cai, Ming-Zhong

, p. 444 - 448 (2012)

A novel Wang resin-bound 2,3-dibromopropionate reagent has been developed and used as a potential dipolarophile for the facile preparation of methyl 3-substituted-isoxazole-5-carboxylates through triethylamine, promoting a sequence of reactions involving the in situ generation of 2-bromoacrylate resin and nitrile oxide, regioselective 1,3-dipolar cycloaddition, and loss of hydrogen bromide in one pot, and then cleavage from the resin with sodium methoxide. The advantages of this method include simple operation and mild conditions with good yield and high purity of the products. Copyright

COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY

-

Paragraph 0245, (2017/02/24)

The present disclosure features compounds such as those having the Formulae (I) and (II), which can increase cystic fibrosis transmembrane conductance regulator (CFTR) activity as measured in human bronchial epithelial (hBE) cells. The present disclosure also features methods of treating a condition associated with decreased CFTR activity or a condition associated with a dysfunction of proteostasis comprising administering to a subject an effective amount of a disclosed compound, such as a compound of Formula (I) or (II).

METHODS OF TREATING PULMONARY DISEASES AND DISORDERS

-

Paragraph 0245, (2017/07/14)

The present disclosure features disclosed method of treating disorders such as COPD, bronchitis and/or asthma using disclosed compounds, optionally together with one or more additional active agents. Contemplated methods include administrating orally or by inhalation to a patient one or more disclosed compounds.

COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY

-

Paragraph 0271, (2016/07/27)

The present disclosure is directed to disclosed compounds that increase cystic fibrosis transmembrane conductance regulator (CFTR) activity as measured in human bronchial epithelial (hBE) cells.

ISOXAZOLE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS

-

Page/Page column 45; 46, (2016/04/26)

The invention relates to a compound of Formula (I) and methods of treating cystic fibrosis comprising the step of administering a therapeutically effective amount of a compound of Formula (I) or II to a patient in need thereof: Formula (I) and Formula (II). The invention relates to the use of substituted oxazole and substituted thiazole compounds in the treatment of cystic fibrosis transmembrane conductance regulator (CFTR) mediated diseases.

An environmentally benign synthesis of isoxazolines and isoxazoles mediated by potassium chloride in water

Han, Liuquan,Zhang, Bijun,Zhu, Min,Yan, Jie

supporting information, p. 2308 - 2311 (2014/04/17)

An effective and environmentally benign procedure for the synthesis of isoxazolines and isoxazoles has been developed by a cycloaddition of nitrile oxides with alkenes or alkynes in water. In this approach, potassium chloride is first oxidized into chlorine in water by the environmentally friendly oxidant Oxone, then aldoximes are oxidized into nitrile oxides by the in situ generated hypochlorous acid, finally a 1,3-dipolar cycloaddition between nitrile oxides and alkenes or alkynes occurs to provide the corresponding isoxazolines and isoxazoles in good yields.

Solid-phase organic synthesis of methyl isoxazole-5-carboxylates based on wang resin-bound 1-phenylselenoacrylate

Tang, Ni,Sheng, Shou-Ri,Hu, Qiao-Sheng,Qu, Hong-En,Cai, Ming-Zhong

experimental part, p. 3279 - 3287 (2012/09/08)

A novel Wang resin-bound 1-phenylselenoacrylate reagent has been developed and used as dipolarophile for the 1,3-dipolar cycloaddition with nitrile oxides to the regioselective synthesis of methyl 3-substituted isoxazole-5-carboxylates in good yields and

Generation of nitrile oxides from oximes using t -BuOI and their cycloaddition

Minakata, Satoshi,Okumura, Sota,Nagamachi, Toshiki,Takeda, Youhei

supporting information; experimental part, p. 2966 - 2969 (2011/07/07)

tert-Butyl hypoiodite (t-BuOI) was found to be a powerful reagent for the cycloaddition of oximes and alkenes/alkynes, leading to the formation of a variety of isoxazolines or isoxazoles under mild conditions.

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