3-Amino-5-methylisoxazole

• CAS: 1072-67-9
• Catalog Number: ACM1072679
• Category: Other Products
• Molecular Weight: 98.1
• Molecular Formula: C₄H₆N₂O
• Synonyms: 3-Isoxazolamine,5-methyl-;3-Methyl-5-aminoisoxazole;5-Methyl-3-aminoisoxazole;5-methyl-3-isoxazolamin;5-Methyl-3-isoxazolamine;5-Methyl-3-iso-xazolamine;Isoxazole, 3-amino-5-methyl-;TIMTEC-BB SBB005553
• Melting Point: 59-61°C(lit.)
• Hazard Statements: Xi-F,Xi,F,Xn
• Safety Description: 22-24/25-47-37/39-26-16-26/37/39/47-36
• Supplemental Hazard Statements: H315-H319
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 3-Amino-5-methylisoxazole?

The molecular formula of 3-Amino-5-methylisoxazole is C4H6N2O.

What is the molecular weight of 3-Amino-5-methylisoxazole?

The molecular weight of 3-Amino-5-methylisoxazole is 98.10 g/mol.

What is the IUPAC name of 3-Amino-5-methylisoxazole?

The IUPAC name of 3-Amino-5-methylisoxazole is 5-methyl-1,2-oxazol-3-amine.

What is the InChI of 3-Amino-5-methylisoxazole?

The InChI of 3-Amino-5-methylisoxazole is InChI=1S/C4H6N2O/c1-3-2-4(5)6-7-3/h2H,1H3,(H2,5,6).

What is the InChIKey of 3-Amino-5-methylisoxazole?

The InChIKey of 3-Amino-5-methylisoxazole is FKPXGNGUVSHWQQ-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Amino-5-methylisoxazole?

The canonical SMILES of 3-Amino-5-methylisoxazole is CC1=CC(=NO1)N.

What is the CAS number of 3-Amino-5-methylisoxazole?

The CAS number of 3-Amino-5-methylisoxazole is 1072-67-9.

What is the XLogP3 value of 3-Amino-5-methylisoxazole?

The XLogP3 value of 3-Amino-5-methylisoxazole is 0.1.

How many hydrogen bond donor counts are there in 3-Amino-5-methylisoxazole?

There is 1 hydrogen bond donor count in 3-Amino-5-methylisoxazole.

How many hydrogen bond acceptor counts are there in 3-Amino-5-methylisoxazole?

There are 3 hydrogen bond acceptor counts in 3-Amino-5-methylisoxazole.

Synthetic Use

Upstream Synthesis Route 1

• 91377-59-2

• 1072-67-9

Reference: [1] Chemical and Pharmaceutical Bulletin, 1984, vol. 32, # 2, p. 530 - 537

Upstream Synthesis Route 2

• 108790-08-5
• 1165952-91-9

• 1072-67-9

Reference: [1] Journal of Heterocyclic Chemistry, 2008, vol. 45, # 1, p. 149 - 154

Upstream Synthesis Route 3

• 106124-31-6

• 1072-67-9

Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1986, p. 17 - 20

Downstream Synthesis Route 1

• 1072-67-9
• 103-72-0

• 64822-00-0

Reference: [1]Vivona, Nicolo; Cusmano, Giuseppe; Macaluso, Gabriella
[Journal of the Chemical Society. Perkin transactions I, 1977, # 14, p. 1616 - 1619]

Downstream Synthesis Route 2

• 1072-67-9
• 98-09-9

• 13053-79-7

Reference: [1]Location in patent: experimental part
Auxiliadora Dea-Ayuela; Castillo, Encarna; Gonzalez-Alvarez, Marta; Vega, Celeste; Rolón, Miriam; Bolas-Fernández, Francisco; Borras, Joaquín; Eugenia González-Rosende
[Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 21, p. 7449 - 7456]
[2]Uno; Machida; Hanai
[Chemical and pharmaceutical bulletin, 1966, vol. 14, # 7, p. 756 - 762]

Downstream Synthesis Route 3

• 1072-67-9
• 51991-94-7

• 106695-66-3

Reference: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346

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