Allylamine, 1,1-dimethyl-

Base Information

• Chemical Name: Allylamine, 1,1-dimethyl-
• CAS No.: 2978-60-1
• Molecular Formula: C5H11 N
• Molecular Weight: 85.149
• DSSTox Substance ID: DTXSID50183933
• Nikkaji Number: J1.355.265G
• Wikidata: Q83054797
• Mol file: 2978-60-1.mol

Synonyms:2-methylbut-3-en-2-amine;Allylamine, 1,1-dimethyl-;2978-60-1;2-amino-2-methyl-3-butanene;DTXSID50183933;AKOS006348072;EN300-102245;F1913-0538

Chemical Property of Allylamine, 1,1-dimethyl-

Chemical Property:

• Vapor Pressure: 44.4mmHg at 25°C
• Boiling Point: 96°Cat760mmHg
• Flash Point: 4.3°C
• PSA: 26.02000
• Density: 0.774g/cm³
• LogP: 1.61000
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 85.089149355
• Heavy Atom Count: 6
• Complexity: 55

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C=C)N
• Uses: 2-Methylbut-3-en-2-amine is used in the preparation of naphthyridine derivatives which is used as a cholesterol acyltransferase inhibitors.

Technology Process of Allylamine, 1,1-dimethyl-

There total 8 articles about Allylamine, 1,1-dimethyl- 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: 57.0%

N-<3-(3-methyl-1-butenyl)> trichloroacetamide (91989-80-9) → 1,1-dimethylprop-2-en-1-yl-amine (2978-60-1)

Guidance literature:

With sodium hydroxide; at 60 ℃; for 72h;

DOI:10.1039/b712227f

Reference yield:

1,1-dimethylprop-3-ynylamine (2978-58-7) → 1,1-dimethylprop-2-en-1-yl-amine (2978-60-1)

Guidance literature:

With potassium hydroxide; hydrogen; Pd/BaCO₃; In pentane;

DOI:10.1021/ja00856a026

Reference yield:

3-chloro-3-methylbut-1-yne (1111-97-3) → 1,1-dimethylprop-2-en-1-yl-amine (2978-60-1)

Guidance literature:

Multi-step reaction with 2 steps

1: liq. NH₃, KOH

2: Na, liq. NH₃, NH₄Cl

With potassium hydroxide; ammonia; sodium; ammonium chloride;

DOI:10.1021/jo01019a033

upstream raw materials:

2,2-dimethyl-but-3-enoic acid amide

1,1-dimethylprop-3-ynylamine

3-chloro-3-methylbut-1-yne

N-<3-(3-methyl-1-butenyl)> trichloroacetamide

Downstream raw materials:

3-methylbut-2-enyl acetate

2-methyl-3-buten-2-yl acetate

(1,1-dimethylallyl)phenyldiazene

1-cyclo-hexyl-3-(1,1-dimethylallyl)-thiourea