Succinic acid-1,4-13C2

Base Information

• Chemical Name: Succinic acid-1,4-13C2
• CAS No.: 79864-95-2
• Molecular Formula: C₄H₆O₄
• Molecular Weight: 120.067
• European Community (EC) Number: 687-208-0
• DSSTox Substance ID: DTXSID10437808
• Wikidata: Q82253373
• Mol file: 79864-95-2.mol

Synonyms:Succinic acid-1,4-13C2;79864-95-2;Butanedioic Acid-13C2;(1,4-13C2)butanedioic acid;SCHEMBL1332767;DTXSID10437808;HY-N0420S3;CS-0541826;Succinic acid-1,4-13C2, 99 atom % 13C

Chemical Property of Succinic acid-1,4-13C2

Chemical Property:

• Melting Point: 187-190 °C(lit.)
• Refractive Index: 1.478
• Boiling Point: 235 °C
• PSA: 74.60000
• Density: 1.409g/cm³
• LogP: -0.06420
• Storage Temp.: Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 120.03331834
• Heavy Atom Count: 8
• Complexity: 92.6

Purity/Quality:

98%min ^*data from raw suppliers

Succinic acid-1,4-13C2 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-41-38-37
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(=O)O)C(=O)O
• Isomeric SMILES: C(C[13C](=O)O)[13C](=O)O
• Uses: Succinic Acid-1,4-13C2 (cas# 79864-95-2) is a compound useful in organic synthesis.

Technology Process of Succinic acid-1,4-13C2

There total 3 articles about Succinic acid-1,4-13C2 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: 97.8%

<1,4-13C2>Bernsteinsaeuredinitril (79341-57-4) → <1,4-13C2>succinic acid (79864-95-2)

Guidance literature:

With hydrogenchloride; for 4h; Heating;

Reference yield:

ethylene dibromide (106-93-4) → <1,4-13C2>succinic acid (79864-95-2)

Guidance literature:

DOI:10.1021/ja01178a522

Reference yield:

[13C]-potassium cyanide (25909-68-6) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → <1,4-13C2>succinic acid (79864-95-2)

Guidance literature:

With sodium hydroxide; 18-crown-6 ether; Yield given. Multistep reaction; 1.) acetonitrile, reflux, 2 h, 2.) methanol, reflux, overnight;

upstream raw materials:

<1,4-13C2>Bernsteinsaeuredinitril

[¹³C]-potassium cyanide

1,2-dichloro-ethane

ethylene dibromide

Refernces

• 1、 Hara, Takeshi,Xu, Yong Ji,Sasaki, Hitomi,Niitu, Masaru,Samejima, Keijiro. "Syntheses of [13C,15N]-Labeled Polyamines". . p. 1005 - 1012. Retrieved 2007/10/03.
• 2、 Ashworth, Doreen M.,Robinson, John A.,Turner, David L.. "Biosynthesis of the Macrotetrolide Antibiotics; The Incorporation of Carbon-13 and Oxygen-18 Labelled Acetate, Propionate, and Succinate". . p. 1719 - 1728. Retrieved 2007/10/02.