(2R,4R)-2-azaniumyl-4-methylpentanedioate

Base Information

• Chemical Name: (2R,4R)-2-azaniumyl-4-methylpentanedioate
• CAS No.: 166756-77-0
• Molecular Formula: C₆H₁₁NO₄*ClH
• Molecular Weight: 197.619
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID90426412
• Wikidata: Q82239334
• Mol file: 166756-77-0.mol

Synonyms:(2R,4R)-2-azaniumyl-4-methylpentanedioate;ZINC01747050;DTXSID90426412

Chemical Property of (2R,4R)-2-azaniumyl-4-methylpentanedioate

Chemical Property:

• Vapor Pressure: 3.51E-05mmHg at 25°C
• Melting Point: 155oC
• Boiling Point: 329.4oC at 760 mmHg
• Flash Point: 153oC
• PSA: 103.45000
• LogP: -1.12530
• Storage Temp.: Freezer (-20°C)
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 160.06098280
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

98% ^*data from raw suppliers

(2R,4R)-4-METHYLGLUTAMIC ACID HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(C(=O)[O-])[NH3+])C(=O)[O-]
• Isomeric SMILES: C[C@H](C[C@H](C(=O)[O-])[NH3+])C(=O)[O-]

Technology Process of (2R,4R)-2-azaniumyl-4-methylpentanedioate

There total 6 articles about (2R,4R)-2-azaniumyl-4-methylpentanedioate 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: 100.0%

1-tert-butyl (2S,4S)-N-(tert-butoxycarbonyl)-4-methylglutamic acid (144331-22-6) → (2S,4S)-4-methylglutamic acid hydrochloride (166756-77-0)

Guidance literature:

With hydrogenchloride;

DOI:10.1016/0040-4039(94)85381-9

Reference yield:

(2S,4S)-di-tert-butyl 4-methyl-5-oxopyrrolidine-1,2-dicarboxylate (144345-38-0) → (2S,4S)-4-methylglutamic acid hydrochloride (166756-77-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / aq. LiOH / tetrahydrofuran

2: 100 percent / 6N HCl

With hydrogenchloride; lithium hydroxide; In tetrahydrofuran;

DOI:10.1016/0040-4039(94)85381-9

Reference yield:

(2R,4R) N-p-nitrobenzoyl 4-methyl glutamic acid dimethyl ester (166756-73-6) → (2R,4R)-4-methylglutamic acid (166756-77-0)

Guidance literature:

With hydrogenchloride; for 2h; Heating;

DOI:10.1016/0957-4166(95)00274-S

upstream raw materials:

1-tert-butyl (2S,4S)-N-(tert-butoxycarbonyl)-4-methylglutamic acid

(2S,4S)-2-Methyl-4-(4-nitro-benzoylamino)-pentanedioic acid diethyl ester

diethyl (4-nitrobenzoyl)-L-glutamate

(2S,4S)-di-tert-butyl 4-methyl-5-oxopyrrolidine-1,2-dicarboxylate

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