1,3-Benzodioxole, 5-methoxy-6-nitro-

Base Information

• Chemical Name: 1,3-Benzodioxole, 5-methoxy-6-nitro-
• CAS No.: 10310-02-8
• Molecular Formula: C8H7 N O5
• Molecular Weight: 197.147
• NSC Number: 172290
• DSSTox Substance ID: DTXSID00145642
• Nikkaji Number: J71.475E
• Wikidata: Q83010204
• Mol file: 10310-02-8.mol

Synonyms:5-methoxy-6-nitro-1,3-benzodioxole;10310-02-8;1,3-BENZODIOXOLE, 5-METHOXY-6-NITRO-;5-Methoxy-6-nitrobenzo[d][1,3]dioxole;6-Methoxy-5-nitro-1,3-benzodioxole;NSC 172290;BRN 0182357;1-Methoxy-6-nitro-3,4-methylenedioxybenzene;5-METHOXY-6-NITRO-2H-1,3-BENZODIOXOLE;Benzene, 1-methoxy-6-nitro-3,4-methylenedioxy-;4-19-00-00730 (Beilstein Handbook Reference);NSC172290;SCHEMBL3022688;DTXSID00145642;MFCD01659655;STK736408;AKOS003389286;CCG-340033;NSC-172290;BS-14181;LS-34742;CS-0150263;D83338

Chemical Property of 1,3-Benzodioxole, 5-methoxy-6-nitro-

Chemical Property:

• Vapor Pressure: 0.000656mmHg at 25°C
• Boiling Point: 318.9°C at 760 mmHg
• Flash Point: 160.8°C
• PSA: 73.51000
• Density: 1.444g/cm³
• LogP: 1.85530
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 197.03242232
• Heavy Atom Count: 14
• Complexity: 228

Purity/Quality:

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

5-Methoxy-6-nitro-1,3-benzodioxole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Technology Process of 1,3-Benzodioxole, 5-methoxy-6-nitro-

There total 2 articles about 1,3-Benzodioxole, 5-methoxy-6-nitro- 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:

6-methoxy-benzo[1,3]dioxole-5-carboxylic acid (7168-93-6) → 5-methoxy-6-nitro-benzo[1,3]dioxole (10310-02-8)

Guidance literature:

With nitric acid; acetic acid;

Reference yield:

4-hydroxy-5-nitro-1,2,methylenedioxybenzene (7107-10-0) + dimethyl sulfate (77-78-1) → 5-methoxy-6-nitro-benzo[1,3]dioxole (10310-02-8)

Guidance literature:

With sodium carbonate; toluene;

Reference yield: 55.4%

methanol (67-56-1) + bromoacetic acid tert-butyl ester (5292-43-3) + 5-methoxy-6-nitro-benzo[1,3]dioxole (10310-02-8) → C14H19NO7 (1111238-14-2)

Guidance literature:

methanol; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

5-methoxy-6-nitro-benzo[1,3]dioxole; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

bromoacetic acid tert-butyl ester; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

upstream raw materials:

6-methoxy-benzo[1,3]dioxole-5-carboxylic acid

4-hydroxy-5-nitro-1,2,methylenedioxybenzene

dimethyl sulfate

Downstream raw materials:

C₁₇H₂₅NO₈

C₁₄H₁₉NO₇

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