(3-Carboxypropyl)trimethylammonium chloride

Base Information

• Chemical Name: (3-Carboxypropyl)trimethylammonium chloride
• CAS No.: 6249-56-5
• Molecular Formula: C7H16ClNO2
• Molecular Weight: 181.66
• Hs Code.: 2923900090
• European Community (EC) Number: 628-362-0
• Mol file: 6249-56-5.mol

Synonyms:4-N-trimethylaminobutyrate;N-trimethyl-GABA;trimethylaminobutyrate;trimethylaminobutyrate iodide

Chemical Property of (3-Carboxypropyl)trimethylammonium chloride

Chemical Property:

• Melting Point: 220 °C (dec.)(lit.)
• PSA: 37.30000
• LogP: -2.43860
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Water (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 181.0869564
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

γ-ButyrobetaineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C[N+](C)(C)CCCC(=O)O.[Cl-]
• Uses: (3-Carboxypropyl)trimethylammonium chloride is a synthetic carnitine related compound used as a transporter substrate in the cloning and sequencing of human carnitine transporter 2 (CT2).

Technology Process of (3-Carboxypropyl)trimethylammonium chloride

There total 12 articles about (3-Carboxypropyl)trimethylammonium chloride 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: 97.0%

ethyl γ-(trimethylammonio)butyrate chloride (51963-62-3) → γ-butyrobetaine hydrochloride (6249-56-5)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃;

DOI:10.1002/anie.200703857

Reference yield: 60.0%

methyl 4-chlorobutyrate (3153-37-5) + trimethylamine (75-50-3) → γ-butyrobetaine hydrochloride (6249-56-5)

Guidance literature:

methyl 4-chlorobutyrate; trimethylamine; In acetone; at 20 ℃; for 72h;

With hydrogenchloride; water;

DOI:10.1021/om100131t

Reference yield: 52.0%

4-amino-n-butyric acid (56-12-2) + methyl iodide (74-88-4) → γ-butyrobetaine hydrochloride (6249-56-5)

Guidance literature:

4-amino-n-butyric acid; With potassium hydrogencarbonate; In methanol; for 0.25h; Inert atmosphere;

methyl iodide; In methanol; at 20 ℃; for 66h; Inert atmosphere;

With hydrogenchloride; In water;

DOI:10.1021/ac801654h

upstream raw materials:

4-dimethylamino-butyric acid

N,N'-dicyclohexyl-O-methyl isourea

4-chloro-butyric acid ethyl ester

trimethylamine

Downstream raw materials:

C₁₅H₂₆N₃O₂⁽¹⁺⁾*Cl^(1-)

C₃₀H₄₂N₂O₃PSi⁽¹⁺⁾*Cl^(1-)

L-carnitine

p-nitrophenyl γ-(trimethylammonio)butyrate chloride

Refernces

• 1、 Andersson, Lars,Kuehler, Thomas,Nilsson, Martin. "Preparation of 3-Carboxy-N,N,N-trimethylpropanaminium Chloride (γ-Butyrobetaine Hydrochloride)". . p. 468 - 469. Retrieved 1981.
• 2、 Beierlein, Christian H.,Breit, Bernhard,Paz Schmidt, Roberto A.,Plattner, Dietmar A.. "Online monitoring of hydroformylation intermediates by ESI-MS". scheme or table. p. 2521 - 2532. Retrieved 2010/08/04.
• 3、 Gasparini, Giulio,Prins, Leonard J.,Scrimin, Paolo. "Exploiting neighboring-group interactions for the self-selection of a catalytic unit". supporting information; experimental part. p. 2475 - 2479. Retrieved 2009/02/06.