2,3-Dihydro-1,4-benzodioxine-6-carbohydrazide

Base Information

• Chemical Name: 2,3-Dihydro-1,4-benzodioxine-6-carbohydrazide
• CAS No.: 98953-13-0
• Molecular Formula: C9H10N2O3
• Molecular Weight: 194.19
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID50398085
• ChEMBL ID: CHEMBL2381119
• Mol file: 98953-13-0.mol

Synonyms:2,3-dihydro-1,4-benzodioxine-6-carbohydrazide;98953-13-0;2,3-Dihydrobenzo[b][1,4]dioxine-6-carbohydrazide;ChemDiv1_000585;Oprea1_206695;SCHEMBL6581336;CHEMBL2381119;HMS588K13;DTXSID50398085;BBL038037;MFCD01536451;STK030313;AKOS000295857;UPCMLD0ENAT5540169:001;CS-0241959;EN300-24223;A916229;SR-01000397546;2,3-Dihydro-benzo[b][1,4]dioxin-6-carbohydrazide;2,3-dihydrobenzo[b]-[1,4]dioxine-6-carbohydrazide;J-507001;SR-01000397546-1;Z58982090;2,3-dihydrobenzo[1,4]dioxine-6-carboxylic acid hydrazide

Chemical Property of 2,3-Dihydro-1,4-benzodioxine-6-carbohydrazide

Chemical Property:

• PSA: 77.07000
• Density: 1.331g/cm³
• LogP: 1.33640
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 194.06914219
• Heavy Atom Count: 14
• Complexity: 222

Purity/Quality:

97% ^*data from raw suppliers

2,3-dihydro-1,4-benzodioxine-6-carbohydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)NN

Technology Process of 2,3-Dihydro-1,4-benzodioxine-6-carbohydrazide

There total 5 articles about 2,3-Dihydro-1,4-benzodioxine-6-carbohydrazide 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: 75.0%

2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid methyl ester (20197-75-5) → 2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid hydrazide (98953-13-0)

Guidance literature:

With hydrazine hydrate; In ethanol; for 48h; Reflux;

DOI:10.1021/jm300309a

Reference yield:

2,3-dihydrobenzo[1,4]dioxine-6-carboxylic acid ethyl ester (20825-87-0) → 2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid hydrazide (98953-13-0)

Guidance literature:

With hydrazine hydrate; In ethanol; for 24h; Reflux;

DOI:10.1016/j.bmc.2012.01.023

Reference yield:

2,3-dihydro-1,4-benzodioxin-6-carboxylic acid (4442-54-0) → 2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid hydrazide (98953-13-0)

Guidance literature:

upstream raw materials:

2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid methyl ester

3,4-dihydroxybenzoic acid methyl ester

2,3-dihydro-1,4-benzodioxin-6-carboxylic acid

2,3-dihydrobenzo[1,4]dioxine-6-carboxylic acid ethyl ester

Downstream raw materials:

3-(benzylthio)-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenyl-4H-1,2,4-triazole

3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-(2-nitrobenzylthio)-4-phenyl-4H-1,2,4-trazole

3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-(3-nitrobenzylthio)-4-phenyl-4H-1,2,4-trazole

3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-(4-nitrobenzylthio)-4-phenyl-4H-1,2,4-trazole