3-Propylglutaric acid

Base Information

• Chemical Name: 3-Propylglutaric acid
• CAS No.: 4165-98-4
• Molecular Formula: C8H14O4
• Molecular Weight: 174.197
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID90194467
• Nikkaji Number: J135.803K
• Wikidata: Q83067216
• Mol file: 4165-98-4.mol

Synonyms:3-Propylpentanedioic acid;3-Propylglutaric acid;4165-98-4;Pentanedioic acid, 3-propyl-;3-Propyl glutaric acid;.beta.-n-Propylglutaric acid;ss-n-Propylglutarsaure;3-n-Propylglutaric acid;3-Propylpentanedioic acid #;SCHEMBL1335604;DTXSID90194467;HMS1664H12;AKOS006275622;CS-0297045;FT-0616367;EN300-1868700

Chemical Property of 3-Propylglutaric acid

Chemical Property:

• Vapor Pressure: 6.36E-05mmHg at 25°C
• Boiling Point: 321°Cat760mmHg
• Flash Point: 162.1°C
• PSA: 74.60000
• Density: 1.159g/cm³
• LogP: 1.35210
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 174.08920892
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

98%Min ^*data from raw suppliers

3-Propylpentanedioicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CC(=O)O)CC(=O)O
• Uses: 3-Propylglutaric Acid, can be used in various chemical synthesis such as Hypocholesterolemic agents.

Technology Process of 3-Propylglutaric acid

There total 13 articles about 3-Propylglutaric 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: 75.0%

3-propyl-1,5-pentanedinitrile (444102-67-4) → 3-propylpentanedioic acid (4165-98-4)

Guidance literature:

With sodium hydroxide; In methanol; for 12h; Heating;

DOI:10.1016/j.tetlet.2008.02.037

Reference yield:

sorbic acid methyl ester (1515-80-6) + dimethyl malonate sodium salt (18424-76-5) → 3-methylheptanedioic acid (10200-31-4,16200-27-4) + 3-propylpentanedioic acid (4165-98-4)

Guidance literature:

With methanol; diethyl ether; racemic 3-methyl-pimelic acid; anschliessend Hydrierung der Reaktionsprodukte an kolloidem Palladium in verduenntem Methanol, Verseifung mit siedener alkoh. NaOH und 40-stdg. Kochen mit 25prozentiger HCl;

Reference yield:

butyraldehyde (123-72-8) + cyanoacetic acid amide (107-91-5) → 3-propylpentanedioic acid (4165-98-4)

Guidance literature:

butyraldehyde; cyanoacetic acid amide; With potassium hydroxide; In water; at 25 - 30 ℃;

With hydrogenchloride; In water; at 95 - 100 ℃;

upstream raw materials:

sorbic acid methyl ester

dimethyl malonate sodium salt

malonic acid

butyraldehyde

Downstream raw materials:

(+)-(R)-4-propyl-4,5-dihydrofuran-2(3H)-one

Refernces

• 1、 -. "Process for preparing Brivaracetam". Page/Page column 8. . Retrieved 2020/12/14.
• 2、 Arnarp,Enzell,Petersson,Pettersson. "Tobacco smoke chemistry. 1. A chemical and mass spectrometric study of tobacco smoke alkyl 2-hydroxy-2-cyclopentenones.". . p. 839 - 854. Retrieved 2007/10/02.