(S)-2-Amino-3,3-dimethylbutanoic acid hydrochloride

Base Information

• Chemical Name: (S)-2-Amino-3,3-dimethylbutanoic acid hydrochloride
• CAS No.: 139163-43-2
• Molecular Formula: C6H14ClNO2
• Molecular Weight: 167.636
• UNII: W5KQU7N8W3
• Mol file: 139163-43-2.mol

Synonyms:L-tert-leucine hydrochloride;139163-43-2;(S)-2-Amino-3,3-dimethylbutanoic acid hydrochloride;(2S)-2-amino-3,3-dimethylbutanoic acid;hydrochloride;t-butylglycine hydrochloride;W5KQU7N8W3;tert-butylglycine hydrochloride;SCHEMBL2852111;3-Methyl-L-valine hydrochloride;OLMBOHVAVKHHTK-PGMHMLKASA-N;AKOS015844313;AKOS015892724;BS-49107;CS-0162061;L-Valine, 3-methyl-, hydrochloride (1:1);(S)-2-AMINO-3,3-DIMETHYLBUTANOIC ACID HCL

Chemical Property of (S)-2-Amino-3,3-dimethylbutanoic acid hydrochloride

Chemical Property:

• Melting Point: >300°C
• PSA: 63.32000
• LogP: 1.94670
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 167.0713064
• Heavy Atom Count: 10
• Complexity: 115

Purity/Quality:

98%Min ^*data from raw suppliers

H-Tle-OH.HCl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (S)-2-Amino-3,3-dimethylbutanoic acid hydrochloride

There total 12 articles about (S)-2-Amino-3,3-dimethylbutanoic 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: 98.0%

C13H19NO2*HCl → (S)-2-amino-3,3-dimethylbutanoic acid hydrochloride (139163-43-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 8h; under 760.051 Torr;

DOI:10.1002/anie.200603630

Reference yield: 85.0%

(S)-(+)-2-amino-3,3-dimethylbutanamide (62965-57-5) → (S)-2-amino-3,3-dimethylbutanoic acid hydrochloride (139163-43-2)

Guidance literature:

With hydrogenchloride; water; for 24h; Heating / reflux;

Reference yield: 84.0%

C31H30Cl3N3NiO3 → (S)-2-amino-3,3-dimethylbutanoic acid hydrochloride (139163-43-2)

Guidance literature:

With hydrogenchloride; In methanol; water; at 70 ℃; for 2h;

DOI:10.1002/anie.201507273

upstream raw materials:

(5R)-3-tert-butyl-5-phenyl-3,4,5,6-tetrahydro-1,4-oxazin-2-one

N-benzyl-N-(1-cyano-2,2-dimethyl-propyl)-acetamide

C₁₅H₂₁NO₃

N-(2,2-dimethylpropylidene)benzylamine

Downstream raw materials:

(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3,3-dimethylbutanoic acid

(S)-2-(d3-methoxy-carbonylamino)-3,3-d9-dimethylbutanoic acid

L-tert-Leucine

C₂₀H₂₀ClF₃N₂O₃

Refernces

• 1、 -. "PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE tert-LEUCINE". Page/Page column 3. . Retrieved 2012/10/08.
• 2、 -. "Azapeptide derivatives as HIV protease inhibitors". Page/Page column 40. . Retrieved 2009/01/24.