Carpronium

Base Information

• Chemical Name: Carpronium
• CAS No.: 14075-13-9
• Molecular Formula: C₈H₁₈NO₂
• Molecular Weight: 160.236
• Hs Code.: 2923900090
• UNII: X6UK728GLZ
• DSSTox Substance ID: DTXSID8048236
• Nikkaji Number: J39.445I
• Wikidata: Q23731008
• NCI Thesaurus Code: C83601
• ChEMBL ID: CHEMBL1896433
• Mol file: 14075-13-9.mol

Synonyms:carpronium;carpronium chloride;carpronium chloride, monohydrate;carpronium iodide;Furozin;methyl N-trimethyl-gamma-aminobutyrate chloride

Chemical Property of Carpronium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 26.30000
• Density: g/cm³
• LogP: 0.64580
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 160.133753817
• Heavy Atom Count: 11
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CCCC(=O)OC
• Recent NIPH Clinical Trials: An exploratory research investigating the appropriate usage and clinical evaluation of compound Monoammonium glycyrrhizinate Glycine DL-Methionine tablet on mild alopecia areata

Technology Process of Carpronium

There total 3 articles about Carpronium 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:

methylene chloride (74-87-3) + 4-dimethylamino-butyric acid (693-11-8) → γ-butyrobetaine methyl ester (14075-13-9)

Guidance literature:

With sodium methylate; 1-ethyl-3-methylimidazolium hydrogensulfate; In methanol; at 80 ℃; Temperature;

Reference yield:

methanol (67-56-1) + 4-aminobutyric acid betaine (407-64-7) → γ-butyrobetaine methyl ester (14075-13-9)

Guidance literature:

With toluene-4-sulfonic acid; at 20 ℃;

DOI:10.1002/jps.22557

Reference yield:

→ γ-butyrobetaine methyl ester (14075-13-9)

Guidance literature:

Jodobutyrat, Me3N;

upstream raw materials:

methanol

4-aminobutyric acid betaine

methylene chloride

4-dimethylamino-butyric acid

Downstream raw materials:

4-aminobutyric acid betaine

Refernces

• 1、 Diao, Lei,Polli, James E.. "Synthesis and in vitro characterization of drug conjugates of l-carnitine as potential prodrugs that target human Octn2". experimental part. p. 3802 - 3816. Retrieved 2012/06/30.