4,5,6-Triethoxy-7-nitrophthalide

Base Information

• Chemical Name: 4,5,6-Triethoxy-7-nitrophthalide
• CAS No.: 4995-54-4
• Molecular Formula: C14H17NO7
• Molecular Weight: 311.291
• Hs Code.: 2932209090
• European Community (EC) Number: 225-655-1
• UNII: USG7NUP2WD
• DSSTox Substance ID: DTXSID60198159
• Nikkaji Number: J203.228G
• Wikidata: Q83070948
• Mol file: 4995-54-4.mol

Synonyms:4,5,6-Triethoxy-7-nitrophthalide;4995-54-4;4,5,6-triethoxy-7-nitro-3H-2-benzofuran-1-one;USG7NUP2WD;EINECS 225-655-1;4,5,6-Triethoxy-7-nitro-3H-isobenzofuran-1-one;1(3H)-Isobenzofuranone, 4,5,6-triethoxy-7-nitro-;4,5,6-Triethoxy-7-nitro-1(3H)-isobenzofuranone;7-nitro-4,5,6-triethoxyphthalide;UNII-USG7NUP2WD;SCHEMBL10652452;DTXSID60198159;FTLVJOVZLDLKLZ-UHFFFAOYSA-N;AKOS017343420;FT-0721670;W-202887

Chemical Property of 4,5,6-Triethoxy-7-nitrophthalide

Chemical Property:

• Vapor Pressure: 2.07E-11mmHg at 25°C
• Boiling Point: 532.3°Cat760mmHg
• Flash Point: 239.4°C
• PSA: 99.81000
• Density: 1.3g/cm³
• LogP: 2.98450
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 311.10050188
• Heavy Atom Count: 22
• Complexity: 411

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C(=C(C2=C1COC2=O)[N+](=O)[O-])OCC)OCC

Technology Process of 4,5,6-Triethoxy-7-nitrophthalide

There total 5 articles about 4,5,6-Triethoxy-7-nitrophthalide 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: 76.0%

4,5,6-triethoxyphthalide + copper(II) nitrate trihydrate → 7-nitro-4,5,6-triethoxyphthalide (4995-54-4)

Guidance literature:

With acetic anhydride; In methanol; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; water;

Reference yield: 67.0%

4,5,6-triethoxyphthalide + copper(II) nitrate trihydrate + copper(II) nitrate → 7-nitro-4,5,6-triethoxyphthalide (4995-54-4)

Guidance literature:

With acetic anhydride; In methanol; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; water;

Reference yield: 59.0%

→ 7-nitro-4,5,6-triethoxyphthalide (4995-54-4)

Guidance literature:

upstream raw materials:

4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-5-sulfonic acid ; sodium-salt