Phenanthro(2,3-d)(1,3)dioxole-5-carboxylic acid

Base Information

• Chemical Name: Phenanthro(2,3-d)(1,3)dioxole-5-carboxylic acid
• CAS No.: 38288-33-4
• Molecular Formula: C16H10O4
• Molecular Weight: 266.2482
• NSC Number: 89112
• UNII: DUF2ZBF29O
• DSSTox Substance ID: DTXSID40191663
• Nikkaji Number: J50.003H
• Wikidata: Q83064238
• Mol file: 38288-33-4.mol

Synonyms:38288-33-4;Phenanthro(2,3-d)(1,3)dioxole-5-carboxylic acid;NSC89112;DUF2ZBF29O;Phenanthro[2,3-d][1,3]dioxole-5-carboxylic acid;NSC-89112;NSC 89112;BRN 0237139;naphtho[2,1-f][1,3]benzodioxole-5-carboxylic acid;UNII-DUF2ZBF29O;NCIOpen2_005652;4-19-00-03596 (Beilstein Handbook Reference);DTXSID40191663;Phenanthro[2,3]dioxole-5-carboxylic acid;WLN: T E5 B666 FO HO GHJ QVQ;{Phenanthro[2,3-d][1,3]dioxole-5-carboxylic} acid

Chemical Property of Phenanthro(2,3-d)(1,3)dioxole-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 7.22E-11mmHg at 25°C
• Boiling Point: 501.3°Cat760mmHg
• Flash Point: 195.5°C
• Density: 1.467g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 266.05790880
• Heavy Atom Count: 20
• Complexity: 396

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C3C4=CC=CC=C4C(=CC3=C2)C(=O)O

Technology Process of Phenanthro(2,3-d)(1,3)dioxole-5-carboxylic acid

There total 2 articles about Phenanthro(2,3-d)(1,3)dioxole-5-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: 17.0%

trans-2-Chloro-4,5-methylenedioxy-α-phenylcinnamic acid (78423-45-7) → phenanthro[2,3-d][1,3]dioxole-5-carboxylic acid (38288-33-4)

Guidance literature:

With potassium amide; In ammonia; for 3h;

Reference yield:

3t-(6-amino-benzo[1,3]dioxol-5-yl)-2-phenyl-acrylic acid (92856-23-0) → phenanthro[2,3-d][1,3]dioxole-5-carboxylic acid (38288-33-4)

Guidance literature:

With sulfuric acid; water; sodium nitrite; Behandeln des Reaktionsgemisches mit Kupfer-Pulver;

DOI:10.1021/ja01370a064

Reference yield:

methanol (67-56-1) + phenanthro[2,3-d][1,3]dioxole-5-carboxylic acid (38288-33-4) → phenanthro[2,3-d][1,3]dioxole-5-carboxylic acid methyl ester (38288-34-5)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01370a064

upstream raw materials:

3t-(6-amino-benzo[1,3]dioxol-5-yl)-2-phenyl-acrylic acid

trans-2-Chloro-4,5-methylenedioxy-α-phenylcinnamic acid

Downstream raw materials:

phenanthro[2,3-d][1,3]dioxole-5-carboxylic acid methyl ester

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