(S)-4-Methyl-2-(methylamino)pentanoic acid hydrochloride

Base Information

• Chemical Name: (S)-4-Methyl-2-(methylamino)pentanoic acid hydrochloride
• CAS No.: 66866-69-1
• Molecular Formula: C₇H₁₅NO₂*ClH
• Molecular Weight: 181.663
• Hs Code.: 2922499990

Synonyms:66866-69-1;(S)-4-Methyl-2-(methylamino)pentanoic acid hydrochloride;N-Methyl-L-Leucine HCl;H-MELEU-OH HCL;methyl-L-leucine hydrochloride;H-MeLeu-OH.HCl;H-L-MeLeu-OH*HCl;methyl l-leucine hydrochloride;SCHEMBL3346764;(S)-4-methyl-2-(methylamino)pentanoic acidhydrochloride salt;AM9403;MFCD00754493;AKOS025287071;HY-W128028;BS-29275;CS-0186185;N-Methyl-L-leucine hydrochloride, >=98.0%;F11181;A867377;N-Methyl L-leucine hydrochloride (H-D-Leu-OMe.HCl)

Chemical Property of (S)-4-Methyl-2-(methylamino)pentanoic acid hydrochloride

Chemical Property:

• PSA: 49.33000
• LogP: 1.89800
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 181.0869564
• Heavy Atom Count: 11
• Complexity: 112

Purity/Quality:

99.9% ^*data from raw suppliers

N-Methyl-L-leucine hydrochloride ≥98.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 6095746
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (S)-4-Methyl-2-(methylamino)pentanoic acid hydrochloride

There total 7 articles about (S)-4-Methyl-2-(methylamino)pentanoic acid 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: 95.0%

(S)-4-Isobutyl-3-methyl-2,2-bis-trifluoromethyl-oxazolidin-5-one (202273-47-0) → (S)-4-methyl-2-(methylamino)pentanoic acid hydrochloride salt (66866-69-1)

Guidance literature:

With hydrogenchloride; In isopropyl alcohol; for 12h; Heating;

DOI:10.1055/s-1998-1998

Reference yield:

N-t-butoxycarbonyl-N-methyl-L-leucine (53363-89-6) → (S)-4-methyl-2-(methylamino)pentanoic acid hydrochloride salt (66866-69-1)

Guidance literature:

With hydrogenchloride; In dichloromethane; at 15 ℃;

Reference yield:

L-leucine (61-90-5,21675-61-6,25248-98-0,70-45-1) → (S)-4-methyl-2-(methylamino)pentanoic acid hydrochloride salt (66866-69-1)

Guidance literature:

Multi-step reaction with 4 steps

1: 95 percent

2: 87 percent / SOCl₂ / 60 °C

3: 85 percent / Et₃SiH, TFA / 0.5 h

4: 95 percent / 3 N aq. HCl / propan-2-ol / 12 h / Heating

With hydrogenchloride; triethylsilane; thionyl chloride; trifluoroacetic acid; In isopropyl alcohol;

DOI:10.1055/s-1998-1998

upstream raw materials:

(S)-4-Isobutyl-3-methyl-2,2-bis-trifluoromethyl-oxazolidin-5-one

L-leucine

(S)-4-isobutyl-2,2-bis-trifluoromethyl-oxazolidin-5-one

(S)-3-Chloromethyl-4-isobutyl-2,2-bis-trifluoromethyl-oxazolidin-5-one

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