5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide

Base Information

• Chemical Name: 5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide
• CAS No.: 1085-32-1
• Molecular Formula: C₁₂H₁₃N₃O₂
• Molecular Weight: 231.254
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40148571
• Nikkaji Number: J41.511A
• Wikidata: Q83014132
• Mol file: 1085-32-1.mol

Synonyms:1085-32-1;BRN 0884217;N'-benzyl-3-methyl-1,2-oxazole-5-carbohydrazide;5-ISOXAZOLECARBOXYLIC ACID, 3-METHYL-, 2-BENZYLHYDRAZIDE;1087-S;3-Methylisoxazole-5-carboxylic acid 2-benzyl hydrazide;1-Benzyl-2-(3-methylisoxazol-5-yl)-carbonyl hydrazine;N'-Benzyl-3-methylisoxazole-5-carbohydrazide;DTXSID40148571;LS-86608;N/'-Benzyl-3-methyl-1,2-oxazole-5-carbohydrazide;5-Isoxazolecarboxylic acid, 3-methyl-, 2-(phenylmethyl)hydrazide

Chemical Property of 5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide

Chemical Property:

• Refractive Index: 1.5290 (estimate)
• Boiling Point: 392°Cat760mmHg
• Flash Point: 190.9°C
• PSA: 67.16000
• Density: 1.206g/cm³
• LogP: 2.19940
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 231.100776666
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NOC(=C1)C(=O)NNCC2=CC=CC=C2

Technology Process of 5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide

There total 6 articles about 5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-methylisoxazole-5-carbohydrazide (89179-79-3) → 3-methyl-isoxazole-5-carboxylic acid N'-benzyl-hydrazide (1085-32-1)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / Heating

2: NaBH₄ / methanol; H₂O / Heating

With sodium tetrahydroborate; In methanol; ethanol; water;

Reference yield:

3-methylisoxazole-5-carboxylic acid ethyl ester (63366-79-0) → 3-methyl-isoxazole-5-carboxylic acid N'-benzyl-hydrazide (1085-32-1)

Guidance literature:

Multi-step reaction with 3 steps

1: N₂H₄*H₂O

2: ethanol / Heating

3: NaBH₄ / methanol; H₂O / Heating

With sodium tetrahydroborate; hydrazine hydrate; In methanol; ethanol; water;

Reference yield:

benzaldehyde (100-52-7) → 3-methyl-isoxazole-5-carboxylic acid N'-benzyl-hydrazide (1085-32-1)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / Heating

2: NaBH₄ / methanol; H₂O / Heating

With sodium tetrahydroborate; In methanol; ethanol; water;

upstream raw materials:

3-methylisoxazole-5-carboxylic acid methyl ester

Benzylhydrazine

3-methylisoxazole-5-carboxylic acid ethyl ester

3-methylisoxazole-5-carbohydrazide