Stachydrine hydrochloride

Base Information

• Chemical Name: Stachydrine hydrochloride
• CAS No.: 4136-37-2
• Molecular Formula: C7H14ClNO2
• Molecular Weight: 179.647
• Hs Code.: 29339900
• European Community (EC) Number: 223-957-8,932-584-6
• ChEMBL ID: CHEMBL166795
• DSSTox Substance ID: DTXSID00961642
• Mol file: 4136-37-2.mol

Synonyms:Stachydrine hydrochloride;4136-37-2;Stachydrine HCl;(2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate;hydrochloride;CHEMBL166795;SCHEMBL1340043;DTXSID00961642;DUNMULOWUUIQIL-RGMNGODLSA-N;HMS1569N06;MFCD21609192;AKOS037514849;CCG-208449;Stachydrine (hydrochloride) (471-87-4 free base);(2S)-2-carboxy-1,1-dimethyl-pyrrolidinium,innersalt,monohydrochloride;1,1-Dimethylpyrrolidin-1-ium-2-carboxylate--hydrogen chloride (1/1)

Chemical Property of Stachydrine hydrochloride

Chemical Property:

• Appearance/Colour: light yellow paste
• Melting Point: 225 °C
• PSA: 40.13000
• LogP: -0.26410
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: Methanol (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 179.0713064
• Heavy Atom Count: 11
• Complexity: 148

Purity/Quality:

99%, ^*data from raw suppliers

StachydrineChloride ^*data from reagent suppliers

Safty Information:

• Statements: 20-22
• Safety Statements: 22-45-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCCC1C(=O)[O-])C.Cl
• Isomeric SMILES: C[N+]1(CCC[C@H]1C(=O)[O-])C.Cl
• Uses: Stachydrine Chloride is a constituent of the Chinese herb leonurus heterophyllus sweet. its used in clinics to support blood circulation and dispel blood stasis.

Technology Process of Stachydrine hydrochloride

There total 1 articles about Stachydrine 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: 88.0%

L-proline (147-85-3,25191-13-3,37159-97-0,4305-67-3,4607-28-7) + methyl iodide (74-88-4) → prolinebetaine hydrochloride (4136-37-2)

Guidance literature:

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

DOI:10.1021/jm00155a045

upstream raw materials:

L-proline

methyl iodide

Refernces