(3-Carboxyallyl)trimethylammonium chloride

Base Information

• Chemical Name: (3-Carboxyallyl)trimethylammonium chloride
• CAS No.: 6538-82-5
• Molecular Formula: C7H14 N O2 . Cl
• Molecular Weight: 179.647
• Hs Code.: 2923900090
• European Community (EC) Number: 809-507-9
• UNII: X7E9C9R1UY
• Mol file: 6538-82-5.mol

Synonyms:6538-82-5;(3-Carboxyallyl)trimethylammonium chloride;Crotonobetaine hydrochloride;Crotonsaeurebetain-chlorid [German];Crotonsaeurebetain-chlorid;X7E9C9R1UY;2-Propen-1-aminium, 3-carboxy-N,N,N-trimethyl-, chloride;Ammonium, (3-carboxyallyl)trimethyl-, chloride;[(E)-3-carboxyprop-2-enyl]-trimethylazanium;chloride;144205-67-4;(2E)-3-Carboxy-N,N,N-trimethyl-2-propen-1-aminium chloride (1:1);2-Propen-1-aminium, 3-carboxy-N,N,N-trimethyl-, chloride (1:1);2-Propen-1-aminium, 3-carboxy-N,N,N-trimethyl-, chloride (1:1), (2E)-;Levocarnitine impurity A;UNII-X7E9C9R1UY;C7H13NO2.Cl;C7-H13-N-O2.Cl;(2EZ)-4-(Trimethylazaniumyl)but-2-enoic Acid Chloride (Crotonobetaine Hydrochloride);LS-17018;3-Carboxy-N,N,N-trimethylprop-2-en-1-aminiumchloride;3-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride;(E)-3-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride;[(2E)-3-CARBOXYPROP-2-EN-1-YL]TRIMETHYLAZANIUM CHLORIDE

Chemical Property of (3-Carboxyallyl)trimethylammonium chloride

Chemical Property:

• Melting Point: 203-205 °C (decomp)
• PSA: 37.30000
• LogP: -2.66260
• Storage Temp.: Amber Vial, Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.0713064
• Heavy Atom Count: 11
• Complexity: 144

Purity/Quality:

95%,98%, ^*data from raw suppliers

CrotonobetaineHydrochloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CC=CC(=O)O.[Cl-]
• Isomeric SMILES: C[N+](C)(C)C/C=C/C(=O)O.[Cl-]
• Uses: Crotonobetaine Hydrochloride is HCl salt of Crotonobetaine (C818800) which is a trimethylammonium compound that can be converted into L-Carnitine by Escherichia coli via stereoselective hydration. Levocarnitine USP Related Compound A.

Technology Process of (3-Carboxyallyl)trimethylammonium chloride

There total 6 articles about (3-Carboxyallyl)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:

→ (3-carboxy-allyl)-trimethyl-ammonium; chloride (6538-82-5)

Guidance literature:

With sulfuric acid; erst auf dem Wasserbad, dann auf 130grad; die Salze entstehen;

Reference yield:

dl-carnitine hydrochloride (461-05-2) → (3-carboxy-allyl)-trimethyl-ammonium; chloride (6538-82-5)

Guidance literature:

With sulfuric acid; at 130 ℃;

Reference yield:

trimethylamine (75-50-3) → (3-carboxy-allyl)-trimethyl-ammonium; chloride (6538-82-5)

Guidance literature:

With ethanol; sodium iodide; at 100 ℃; und wiederholtes Eindampfen des Reaktionsprodukts mit konz.Salzsaeure;

upstream raw materials:

(R,S)-carnitinenitrile chloride

dl-carnitine hydrochloride

trimethylamine

Downstream raw materials:

dl-carnitine hydrochloride

4-aminobutyric acid betaine