7-Amino-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

Base Information

• Chemical Name: 7-Amino-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
• CAS No.: 99358-09-5
• Molecular Formula: C9H9 N O4
• Molecular Weight: 195.17
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID20389824
• Wikidata: Q82186009
• Mol file: 99358-09-5.mol

Synonyms:99358-09-5;7-amino-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid;7-Amino-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid;7-Amino-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid;6-amino-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid;SCHEMBL2783283;DTXSID20389824;7-AMINO-2,3-DIHYDRO-BENZO[1,4]DIOXINE-6-CARBOXYLICACID;MFCD06010010;AKOS000117836;SB40371;CS-0231871;FT-0694798;EN300-12569;6-amino-2,3-dihydro-1,4-benzodioxine-7-carboxylate;Z85922621;7-Amino-2,3-dihydro-1,4-benzodioxin-6-carboxylic acid;F2124-0453

Chemical Property of 7-Amino-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

Chemical Property:

• Vapor Pressure: 4.49E-07mmHg at 25°C
• Melting Point: 191-192 °C
• Boiling Point: 398.7°C at 760 mmHg
• PKA: 2.37±0.20(Predicted)
• Flash Point: 194.9°C
• PSA: 81.78000
• Density: 1.465g/cm³
• LogP: 1.31940
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 195.05315777
• Heavy Atom Count: 14
• Complexity: 233

Purity/Quality:

97% ^*data from raw suppliers

7-Amino-2,3-dihydro-benzo[1,4]dioxine-6-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 7-Amino-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

There total 9 articles about 7-Amino-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid 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: 90.6%

7-amino-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid methyl ester (20197-76-6) → 7-amino-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid (99358-09-5)

Guidance literature:

With water; sodium hydroxide; In tetrahydrofuran; at 80 ℃;

Reference yield:

7-nitro-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid methyl ester (52791-03-4) → 7-amino-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid (99358-09-5)

Guidance literature:

With hydrazine hydrate; palladium on activated charcoal; In methanol;

DOI:10.1016/j.bmc.2008.06.037

Reference yield:

2,3-dihydro-1,4-benzodioxin-6-carboxylic acid (4442-54-0) → 7-amino-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid (99358-09-5)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; sulfuric acid; nitric acid

2: Raney nickel; ethanol / Hydrogenation

With ethanol; sulfuric acid; nitric acid; nickel; acetic acid;

upstream raw materials:

4,5-(ethylenedioxy)-2-nitrobenzoic acid

benzo-1,4-dioxane

1,4-benzodioxan-6-yl methyl ketone

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

Downstream raw materials:

3,4,7,8-tetrahydro[1,4]dioxino[2,3-g]quinazolin-4-one

4-chloro-7,8-dihydro[1,4]-dioxino[2,3-g]quinazoline

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