Dipropyl isocinchomeronate

Base Information

• Chemical Name: Dipropyl isocinchomeronate
• CAS No.: 136-45-8
• Deprecated CAS: 114308-72-4
• Molecular Formula: C13H17 N O4
• Molecular Weight: 251.282
• Hs Code.: 2933399028
• European Community (EC) Number: 205-245-9
• NSC Number: 22364
• UN Number: 3082
• UNII: O572Q51ABJ
• DSSTox Substance ID: DTXSID8032544
• Nikkaji Number: J8.135C
• Wikidata: Q1207805
• ChEMBL ID: CHEMBL1899338
• Mol file: 136-45-8.mol

Synonyms:136-45-8;DIPROPYL PYRIDINE-2,5-DICARBOXYLATE;Dipropyl isocinchomeronate;Dipropyl 2,5-pyridinedicarboxylate;MGK 326;MGK Repellent 326;Di-propylisocinchomeronate;Di-n-propyl 2,5-pyridinedicarboxylate;Repper 333;Di-n-propyl isocinchomeronate;R-326;2,5-Pyridinedicarboxylic acid, dipropyl ester;MGK R-326;Caswell No. 400;Isocinchomeronic acid, dipropyl ester;ENT 17595;NSC 22364;Di-N-propyl-isocinchomeronate;MGK Repellent 326 (VAN);Pyridin-2,5-dicarbonsaeure-di-N-propylester;EINECS 205-245-9;Di-n-propyl-isocinchomeronate [German];EPA Pesticide Chemical Code 047201;Mgk-326;BRN 0229600;UNII-O572Q51ABJ;AI3-17591;O572Q51ABJ;DTXSID8032544;Dipropylester kyseliny pyridin-2,5-dikarboxylove;Isocinchomeronic Acid Dipropyl Ester;NSC-22364;Pyridin-2,5-dicarbonsaeure-di-n-propylester [German];2,5-PYRIDINEDICARBOXYLIC ACID DI-N-PROPYL ESTER;Dipropylester kyseliny pyridin-2,5-dikarboxylove [Czech];4-22-00-01633 (Beilstein Handbook Reference);2, dipropyl ester;MGK Replellent 326;Isocinchomeronyl dipropylester;SCHEMBL338813;WLN: T6NJ BVO3 EVO3;CHEMBL1899338;DTXCID6012544;HSDB 6947;IITCWRFYJWUUPC-UHFFFAOYSA-;NSC22364;DIPROPYL PYRIDINEDICARBOXYLATE;Tox21_300729;MFCD00055315;AKOS015913878;NCGC00168289-01;NCGC00168289-02;NCGC00254635-01;AS-76753;CAS-136-45-8;LS-131357;2,5-Pyridinedicarboxylic Acid Dipropyl Ester;CS-0375706;DIPROPYL PYRIDINEDICARBOXYLATE [INCI];P0835;MGK 326, PESTANAL(R), analytical standard;D79937;Pyridine-2,5-dicarboxylic acid, dipropyl ester;2,5-DIPROPYL PYRIDINE-2,5-DICARBOXYLATE;2,5-Pyridinedicarboxylicacid,2,5-dipropyl ester;Di-n-propyl isocinchomeronate (MGK Repellent 326);J-006849;Q1207805;2,5-PYRIDINEDICARBOXYLIC ACID, 2,5-DIPROPYL ESTER

Chemical Property of Dipropyl isocinchomeronate

Chemical Property:

• Vapor Pressure: 5.21E-05mmHg at 25°C
• Refractive Index: 1.4990 to 1.5010
• Boiling Point: 359.7°Cat760mmHg
• PKA: -0.23±0.10(Predicted)
• Flash Point: 171.3°C
• PSA: 65.49000
• Density: 1.119g/cm³
• LogP: 2.21520
• Storage Temp.: 0-6°C
• Water Solubility.: Insoluble in water
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 251.11575802
• Heavy Atom Count: 18
• Complexity: 280
• Transport DOT Label: Class 9

Purity/Quality:

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

MGK 326 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Insect Repellents
• Canonical SMILES: CCCOC(=O)C1=CN=C(C=C1)C(=O)OCCC

Technology Process of Dipropyl isocinchomeronate

There total 2 articles about Dipropyl isocinchomeronate 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:

propan-1-ol (71-23-8) + Pyridine-2,5-dicarboxylic acid (100-26-5) → dipropyl pyridine-2,5-dicarboxylate (136-45-8)

Guidance literature:

With sulfuric acid; benzene;

Reference yield:

→ dipropyl pyridine-2,5-dicarboxylate (136-45-8)

Guidance literature:

Reference yield:

dipropyl pyridine-2,5-dicarboxylate (136-45-8) + methyl iodide (74-88-4) → dimethyl 2,5-pyridine dicarboxylate (881-86-7)

Guidance literature:

Yield given. Multistep reaction; 1) Et₄NBF₄, electrolysis;

DOI:10.1021/jo961492u

upstream raw materials:

propan-1-ol

Pyridine-2,5-dicarboxylic acid

Downstream raw materials:

dimethyl 2,5-pyridine dicarboxylate

Refernces