(2S)-1-Bromo-4-methylpentan-2-amine

Base Information

• Chemical Name: (2S)-1-Bromo-4-methylpentan-2-amine
• CAS No.: 74605-21-3
• Molecular Formula: C₆H₁₄BrN
• Molecular Weight: 180.088
• DSSTox Substance ID: DTXSID00519829
• Nikkaji Number: J2.533.718B
• Wikidata: Q82383301
• Mol file: 74605-21-3.mol

Synonyms:74605-21-3;(2S)-1-Bromo-4-methylpentan-2-amine;2-Pentanamine, 1-bromo-4-methyl-, (S)-;2-Pentanamine,1-bromo-4-methyl-, (S)- (9CI);DTXSID00519829;MFCD09839540;(S)-1-Bromo-4-methylpentan-2-amine

Chemical Property of (2S)-1-Bromo-4-methylpentan-2-amine

Chemical Property:

• Vapor Pressure: 0.845mmHg at 25°C
• Refractive Index: 1.477
• Boiling Point: 181.6°C at 760 mmHg
• PKA: 9.27±0.42(Predicted)
• Flash Point: 63.6°C
• PSA: 26.02000
• Density: 1.24g/cm³
• LogP: 2.45500
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 179.03096
• Heavy Atom Count: 8
• Complexity: 54.5

Purity/Quality:

99% ^*data from raw suppliers

(S)-1-BROMO-4-METHYL-2-PENTANAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(CBr)N
• Isomeric SMILES: CC(C)C[C@@H](CBr)N

Technology Process of (2S)-1-Bromo-4-methylpentan-2-amine

There total 3 articles about (2S)-1-Bromo-4-methylpentan-2-amine 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:

L-leucine (61-90-5,21675-61-6,25248-98-0,70-45-1) → 1-(Bromomethyl)-3-methylbutylamine (74605-21-3,780690-68-8)

Guidance literature:

Multi-step reaction with 3 steps

1: HCl

2: LiAlH₄ / diethyl ether

3: (bromination)

With hydrogenchloride; lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1021/jm00324a027

Reference yield:

L-Leucine ethyl ester (2743-60-4,75023-21-1) → 1-(Bromomethyl)-3-methylbutylamine (74605-21-3,780690-68-8)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / diethyl ether

2: (bromination)

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1021/jm00324a027

Reference yield:

(S)-2-amino-4-methylpentan-1-ol (7533-40-6,14438-11-0) → 1-(Bromomethyl)-3-methylbutylamine (74605-21-3,780690-68-8)

Guidance literature:

(bromination);

DOI:10.1021/jm00324a027

upstream raw materials:

(S)-2-amino-4-methylpentan-1-ol

L-leucine

L-Leucine ethyl ester