(R)-2-(Aminomethyl)-3-methylbutanoic acid

Base Information

• Chemical Name: (R)-2-(Aminomethyl)-3-methylbutanoic acid
• CAS No.: 210345-86-1
• Molecular Formula: C6H13NO2
• Molecular Weight: 131.175
• DSSTox Substance ID: DTXSID20452007
• Nikkaji Number: J860.184D
• Mol file: 210345-86-1.mol

Synonyms:(R)-2-(Aminomethyl)-3-methylbutanoic acid;210345-86-1;Butanoic acid, 2-(aminomethyl)-3-methyl-, (2R)-;(2R)-2-(AMINOMETHYL)-3-METHYLBUTANOIC ACID;MFCD07372878;SCHEMBL4738598;DTXSID20452007;AKOS006283521;DS-5572;(R)-2-(aminomethyl)-3-methylbutanoicacid;(R)-2-(Aminomethyl)-3-methylbutyric acid;CS-0061014;A879295

Chemical Property of (R)-2-(Aminomethyl)-3-methylbutanoic acid

Chemical Property:

• Melting Point: 238-239 °C
• Boiling Point: 232.0±23.0 °C(Predicted)
• PKA: 3.50±0.11(Predicted)
• PSA: 63.32000
• Density: 1.035±0.06 g/cm3(Predicted)
• LogP: 1.00220
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 131.094628657
• Heavy Atom Count: 9
• Complexity: 101

Purity/Quality:

97% ^*data from raw suppliers

(R)-2-(Aminomethyl)-3-methylbutanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C(CN)C(=O)O
• Isomeric SMILES: CC(C)[C@H](CN)C(=O)O

Technology Process of (R)-2-(Aminomethyl)-3-methylbutanoic acid

There total 22 articles about (R)-2-(Aminomethyl)-3-methylbutanoic acid 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: 93.0%

methyl (R)-3-dibenzylamino-2-iso-propylpropanate → (2R)-([amino]methyl)-3-methylbutanoic acid (210345-86-1)

Guidance literature:

methyl (R)-3-dibenzylamino-2-iso-propylpropanate; With hydrogen; palladium on activated charcoal; In methanol; water; acetic acid; for 24h; under 760.051 Torr;

With lithium hydroxide; In tetrahydrofuran; water; for 15h; Further stages.; Heating;

DOI:10.1039/b707689d

Reference yield: 75.0%

(R)-2-(Benzoylamino-methyl)-3-methyl-butyric acid (210345-85-0) → (2R)-([amino]methyl)-3-methylbutanoic acid (210345-86-1)

Guidance literature:

With hydrogenchloride; In acetic acid; for 48h; Heating;

DOI:10.1002/hlca.19980810513

Reference yield: 70.0%

(2R)-([{(benzyloxy)carbonyl}amino]methyl)-3-methylbutanoic acid (1138323-75-7) → (2R)-([amino]methyl)-3-methylbutanoic acid (210345-86-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 4h; under 760.051 Torr; enantioselective reaction;

DOI:10.1016/j.tetasy.2008.12.023

upstream raw materials:

N-[(R)-2-((S)-4-Benzyl-2-oxo-oxazolidine-3-carbonyl)-3-methyl-butyl]-benzamide

(R)-2-(Benzoylamino-methyl)-3-methyl-butyric acid

(R)-2-(Benzyloxyamino-methyl)-3-methyl-butyric acid

(4R)-isopropyl-2-((S)-1-phenylethyl)-isoxazolidin-5-one

Downstream raw materials:

(R)-2-(((tert-butoxycarbonyl)amino)methyl)-3-methylbutanoic acid

(2R)-2-({[(9H-fluoren-9-ylmethoxy)carbonyl]amino}methyl)-3-methylbutanoic acid

(R)-2-({(R)-3-[(R)-2-(tert-Butoxycarbonylamino-methyl)-3-methyl-butyrylamino]-2-methyl-propionylamino}-methyl)-4-methyl-pentanoic acid benzyl ester

C₄₆H₇₈N₆O₉