(+)-Carnitine hydrochloride

Base Information

• Chemical Name: (+)-Carnitine hydrochloride
• CAS No.: 10017-44-4
• Molecular Formula: C7H15NO3^.HCl
• Molecular Weight: 197.662
• Hs Code.: 2923900090
• DSSTox Substance ID: DTXSID60142995
• Wikidata: Q27251346
• Mol file: 10017-44-4.mol

Synonyms:10017-44-4;(+)-Carnitine hydrochloride;(S)-3-Carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride;(S)-Carnitine hydrochloride;D-Carnitine HCl;Carnitine D-form hydrochloride;UNII-11X758JML9;D-Carnitine hydrochloride;D-Carnitine (hydrochloride);(+)-(3-Carboxy-2-hydroxypropyl)trimethylammonium chloride;[(2S)-3-carboxy-2-hydroxypropyl]-trimethylazanium;chloride;1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride (1:1), (2S)-;C7H16NO3.Cl;Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, chloride, (+)-;1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride, (S)-;Carnitine hydrochloride, (+)-;11X758JML9;C7-H15-N-O3.Cl;(S)-Carnitinehydrochloride;HY-B2246A;DTXSID60142995;AKOS006275413;AS-73419;LS-17068;CS-0030373;Q27251346;[(2S)-3-carboxy-2-hydroxypropyl]trimethylazanium chloride;1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride,(S)-

Chemical Property of (+)-Carnitine hydrochloride

Chemical Property:

• Melting Point: 135-137 °C
• PSA: 57.53000
• LogP: -3.46780
• Storage Temp.: Store at 0°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 197.0818711
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

99% HPLC ^*data from raw suppliers

(S)-CarnitineHydrochloride ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CC(CC(=O)O)O.[Cl-]
• Isomeric SMILES: C[N+](C)(C)C[C@H](CC(=O)O)O.[Cl-]

Technology Process of (+)-Carnitine hydrochloride

There total 11 articles about (+)-Carnitine hydrochloride 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: 90.0%

(+)-(3S,2'S)-ethyl 3-<(2-methoxy-2-phenylacetyl)oxy>-4-(triethylammonio)butanoate iodide (107799-29-1) → (S)-(+)-3-hydroxy-4-(trimethylammonio)-butanoic acid chloride (10017-44-4)

Guidance literature:

With hydrogenchloride; 1.) 60 deg C, 2 h, 2.) RT, 16 h;

DOI:10.1021/jo00387a041

Reference yield: 78.5%

→ (R)-carnitine hydrochloride (56-99-5,461-05-2,6645-46-1,10017-44-4)

Guidance literature:

Reference yield: 75.0%

(3-Carboxy-2-oxo-propyl)-trimethyl-ammonium; chloride → (S)-(+)-3-hydroxy-4-(trimethylammonio)-butanoic acid chloride (10017-44-4)

Guidance literature:

With Ru₂Cl₄{(R)-binap}2(C₂H₅)3N; hydrogen; In methanol; at 25 ℃; for 68h; under 76000 Torr;

DOI:10.1016/0957-4166(94)80030-8

upstream raw materials:

(+)-(3S,2'S)-ethyl 3-<(2-methoxy-2-phenylacetyl)oxy>-4-(triethylammonio)butanoate iodide

(2R)-(-)-3-cyano-2-hydroxypropyltrimethylammonium chloride

C₈H₁₈NO₃⁽¹⁺⁾*BrH

L-carnitine

Downstream raw materials:

C₂₈H₃₄NO₅⁽¹⁺⁾

ketoprofen-glycolic acid-l-carnitine

acetyl-D,L-carnitine*HCl

(R)-acetylthiocarnitine

Refernces

• 1、 Yang, Yunxu,Wang, Weili,Wumaier, Aikeremu,Sheng, Ruilong,Zhang, Xuetao,Zhang, Tianyi. "Practical and efficient utilisation of (R)-3-chloro-1,2-propanediol in synthesis of L-carnitine". . p. 371 - 372. Retrieved 2011.
• 2、 -. "Process for preparing optically active carnitine ester". . . Retrieved 2008/06/13.