(3,5-Dimethyl-4-isoxazolyl)methanol

• CAS: 19788-36-4
• Catalog Number: ACM19788364
• Category: Other Products
• Molecular Weight: 127.14
• Molecular Formula: C₆H₉NO₂
• Synonyms: BUTTPARK 97\06-59;(3,5-DIMETHYL-4-ISOXAZOLYL)METHANOL;AKOS PAO-1564;RARECHEM AL BD 0516;(3,5-Dimethylisoxazol-4-yl)methanol;3,5-Dimethylisoxazole-4-methanol;3,5-Dimethyl-4-hydroxymethylisoxazole;3,5-Dimethyl-4-isoxazolemethanol
• Boiling Point: 96-97
• Melting Point: 76°C
• Hazard Statements: Xi
• Safety Description: 26-36/37/39-24/25

Custom Q&A

What is the molecular formula of (3,5-Dimethyl-4-isoxazolyl)methanol?

The molecular formula is C6H9NO2.

When was the structure of (3,5-Dimethyl-4-isoxazolyl)methanol created?

The structure was created on 2005-03-26.

What is the molecular weight of (3,5-Dimethyl-4-isoxazolyl)methanol?

The molecular weight is 127.14 g/mol.

How many hydrogen bond donor counts are there in (3,5-Dimethyl-4-isoxazolyl)methanol?

There is 1 hydrogen bond donor count.

What is the Canonical SMILES of (3,5-Dimethyl-4-isoxazolyl)methanol?

The Canonical SMILES is CC1=C(C(=NO1)C)CO.

What is the InChIKey of (3,5-Dimethyl-4-isoxazolyl)methanol?

The InChIKey is JISPGFYJPXGNBY-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts are there in (3,5-Dimethyl-4-isoxazolyl)methanol?

There are 3 hydrogen bond acceptor counts.

What is the XLogP3-AA value of (3,5-Dimethyl-4-isoxazolyl)methanol?

The XLogP3-AA value is 0.3.

What other synonyms are there for (3,5-Dimethyl-4-isoxazolyl)methanol?

Other synonyms include 19788-36-4, (3,5-dimethylisoxazol-4-yl)methanol, and 4-Isoxazolemethanol.

Is the compound canonicalized?

Yes, the compound is canonicalized according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 19788-37-5

• 19788-36-4

Reference: [1]Zhurnal Obshchei Khimii,1958,vol. 28,p. 2736,2743; engl. Ausg. S. 2762, 2768

Downstream Synthesis Route 1

• 19788-36-4

• 19788-37-5

Reference: [1] Journal of Heterocyclic Chemistry, 1992, vol. 29, # 6, p. 1557 - 1560

Downstream Synthesis Route 2

• 19788-36-4

• 2510-36-3

Reference: [1] Zhurnal Obshchei Khimii, 1958, vol. 28, p. 2736,2743; engl. Ausg. S. 2762, 2768

Downstream Synthesis Route 3

• 19788-36-4

• 54593-26-9

Reference: [1] Organic Preparations and Procedures International, 2003, vol. 35, # 2, p. 207 - 214

Downstream Synthesis Route 4

• 19788-36-4

• 2510-36-3

Reference: [1]Zhurnal Obshchei Khimii,1958,vol. 28,p. 2736,2743; engl. Ausg. S. 2762, 2768

Downstream Synthesis Route 5

• 123-56-8
• 19788-36-4

• 50866-18-7

Reference: [1]Journal of Medicinal Chemistry,1973,vol. 16,p. 512 - 516

* For details of the synthesis route, please refer to the original source to ensure accuracy.