cis-Aconitic anhydride

Base Information

• Chemical Name: cis-Aconitic anhydride
• CAS No.: 6318-55-4
• Molecular Formula: C6H4O5
• Molecular Weight: 156.095
• Hs Code.: 2918300090
• European Community (EC) Number: 250-668-4,228-663-3
• NSC Number: 31662
• UNII: 6G00QN452A
• DSSTox Substance ID: DTXSID8064228
• Nikkaji Number: J2.552.320B,J269.337B,J206.911C
• Wikidata: Q55972704
• Mol file: 6318-55-4.mol

Synonyms:aconitic anhydride

Chemical Property of cis-Aconitic anhydride

Chemical Property:

• Vapor Pressure: 5.73E-09mmHg at 25°C
• Melting Point: 75-78 °C(lit.)
• Refractive Index: 1.506
• Boiling Point: 397.8 °C at 760 mmHg
• PKA: 3?+-.0.10(Predicted)
• Flash Point: 177.6 °C
• PSA: 80.67000
• Density: 1.621 g/cm³
• LogP: -0.52910
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 156.00587322
• Heavy Atom Count: 11
• Complexity: 262

Purity/Quality:

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

cis-Aconitic anhydride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C(=O)OC1=O)CC(=O)O
• Uses: cis-Aconitic anhydride is used in the preparation of poly(amino acid)-containing copolymers with gradient pH-sensitive side groups initiated by the amino groups in methoxy poly(ethylene glycol)-block-poly(L-lysine). It is also involved in the preparation of pH-sensitive anti-tumor prodrug nanoparticles by conjugation with D-alfa-tocopheryl polyethylene glycol 1000 succinate (TPGS).

Technology Process of cis-Aconitic anhydride

There total 5 articles about cis-Aconitic anhydride 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:

1 propene 1,2,3 tricarboxylic acid (499-12-7) → cis-aconitic anhydride (6318-55-4)

Guidance literature:

With acetyl chloride;

Reference yield:

1 propene 1,2,3 tricarboxylic acid (499-12-7) → cis-aconitic anhydride (6318-55-4)

Guidance literature:

With chloroform; acetic anhydride; at 40 ℃;

Reference yield:

→ cis-aconitic anhydride (6318-55-4)

Guidance literature:

at 140 ℃;

upstream raw materials:

1 propene 1,2,3 tricarboxylic acid

cis-aconitic acid

Downstream raw materials:

cis-aconityl-doxorubicin

trans-aconityl-doxorubicin

(3,6-dioxo-1,2,3,6-tetrahydro-pyridazin-4-yl)-acetic acid

2'-(cis-aconityl-gamma-aminobutyryl)paclitaxel

Refernces